REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1tco_1_A DATA FIRST_RESID 21 DATA SEQUENCE VPFPPSHRLT AKEVFDNDGK PRVDILKAHL MKEGRLEETV ALRIITEGAS DATA SEQUENCE ILRQEKNLLD IDAPVTVCGD IHGQFFDLMK LFEVGGSPAN TRYLFLGDYV DATA SEQUENCE DRGYFSIECV LYLWALKILY PKTLFLLRGN HECRHLTEYF TFKQECKIKY DATA SEQUENCE SERVYDACMD AFDCLPLAAL MNQQFLCVHG GLSPEINTLD DIRKLDRFKE DATA SEQUENCE PPAYGPMCDI LWSDPLEDFG NEKTQEHFTH NTVRGCSYFY SYPAVCEFLQ DATA SEQUENCE HNNLLSILRA HEAQDAGYRM YRKSQTTGFP SLITIFSAPN YLDVYNNKAA DATA SEQUENCE VLKYENNVMN IRQFNCSPHP YWLPNFMDVF TWSLPFVGEK VTEMLVNVLN DATA SEQUENCE IC VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 21 V HA 0.000 nan 4.120 nan 0.000 0.244 21 V C 0.000 176.132 176.094 0.063 0.000 1.182 21 V CA 0.000 62.318 62.300 0.030 0.000 1.235 21 V CB 0.000 31.831 31.823 0.014 0.000 1.184 22 P HA 0.461 nan 4.420 nan 0.000 0.268 22 P C -1.265 176.120 177.300 0.141 0.000 1.208 22 P CA 0.206 63.363 63.100 0.096 0.000 0.777 22 P CB 0.076 31.816 31.700 0.066 0.000 0.875 23 F N 1.896 121.850 119.950 0.007 0.000 2.492 23 F HA 0.502 5.029 4.527 -0.000 0.000 0.327 23 F C -2.339 173.469 175.800 0.014 0.000 1.079 23 F CA -2.738 55.264 58.000 0.002 0.000 0.967 23 F CB 1.331 40.336 39.000 0.008 0.000 1.169 23 F HN 0.245 nan 8.300 nan 0.000 0.472 24 P HA 0.209 nan 4.420 nan 0.000 0.276 24 P C -2.618 174.662 177.300 -0.033 0.000 1.235 24 P CA -0.989 61.957 63.100 -0.258 0.000 0.772 24 P CB 0.152 31.629 31.700 -0.372 0.000 0.871 25 P HA -0.043 nan 4.420 nan 0.000 0.263 25 P C 0.479 177.907 177.300 0.213 0.000 1.195 25 P CA 0.274 63.511 63.100 0.228 0.000 0.762 25 P CB 0.638 32.502 31.700 0.273 0.000 0.799 26 S N 1.600 117.459 115.700 0.264 0.000 2.428 26 S HA -0.140 4.330 4.470 -0.000 0.000 0.230 26 S C 0.908 175.614 174.600 0.175 0.000 1.014 26 S CA 0.411 58.735 58.200 0.206 0.000 0.957 26 S CB -1.006 62.324 63.200 0.216 0.000 0.784 26 S HN 0.673 nan 8.310 nan 0.000 0.499 27 H N 3.014 122.176 119.070 0.154 0.000 3.026 27 H HA 0.413 4.969 4.556 -0.000 0.000 0.289 27 H C -0.197 175.216 175.328 0.142 0.000 1.022 27 H CA -0.408 55.709 56.048 0.114 0.000 1.477 27 H CB 0.186 29.991 29.762 0.071 0.000 1.510 27 H HN 0.112 nan 8.280 nan 0.000 0.535 28 R N 4.884 125.079 120.500 -0.509 0.000 2.265 28 R HA 0.247 4.587 4.340 -0.000 0.000 0.314 28 R C -0.190 175.747 176.300 -0.604 0.000 1.053 28 R CA -0.522 55.388 56.100 -0.318 0.000 0.931 28 R CB 0.447 30.656 30.300 -0.152 0.000 1.024 28 R HN 0.584 nan 8.270 nan 0.000 0.457 29 L N 2.966 123.987 121.223 -0.337 0.000 2.490 29 L HA 0.113 4.453 4.340 -0.000 0.000 0.274 29 L C 0.730 177.555 176.870 -0.075 0.000 1.201 29 L CA 0.148 54.858 54.840 -0.216 0.000 0.869 29 L CB 0.212 42.168 42.059 -0.171 0.000 1.123 29 L HN 0.796 nan 8.230 nan 0.000 0.484 30 T N -0.543 114.013 114.554 0.003 0.000 2.912 30 T HA 0.479 4.829 4.350 -0.000 0.000 0.280 30 T C 1.148 175.902 174.700 0.089 0.000 0.989 30 T CA -0.259 61.871 62.100 0.049 0.000 0.995 30 T CB 1.795 70.707 68.868 0.072 0.000 1.077 30 T HN 0.592 nan 8.240 nan 0.000 0.531 31 A N 1.221 124.118 122.820 0.128 0.000 1.869 31 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 31 A C 2.119 179.835 177.584 0.219 0.000 1.203 31 A CA 1.913 54.087 52.037 0.228 0.000 0.638 31 A CB -1.046 18.042 19.000 0.146 0.000 0.831 31 A HN 0.762 nan 8.150 nan 0.000 0.450 32 K N 0.104 120.580 120.400 0.126 0.000 2.360 32 K HA -0.056 4.264 4.320 -0.000 0.000 0.201 32 K C 1.718 178.359 176.600 0.069 0.000 1.046 32 K CA 1.419 57.764 56.287 0.096 0.000 0.945 32 K CB -0.180 32.357 32.500 0.062 0.000 0.750 32 K HN 0.744 nan 8.250 nan 0.000 0.464 33 E N -0.807 119.426 120.200 0.055 0.000 2.190 33 E HA -0.025 4.325 4.350 -0.000 0.000 0.191 33 E C 1.477 178.052 176.600 -0.041 0.000 0.978 33 E CA 0.578 56.986 56.400 0.014 0.000 0.839 33 E CB 0.372 30.087 29.700 0.025 0.000 0.787 33 E HN -0.016 nan 8.360 nan 0.000 0.473 34 V N 0.378 120.244 119.914 -0.080 0.000 2.599 34 V HA 0.004 4.124 4.120 -0.000 0.000 0.245 34 V C 0.321 176.136 176.094 -0.465 0.000 1.046 34 V CA 0.853 62.970 62.300 -0.306 0.000 1.065 34 V CB -0.008 31.546 31.823 -0.449 0.000 0.703 34 V HN 0.035 nan 8.190 nan 0.000 0.464 35 F N 1.404 121.344 119.950 -0.016 0.000 2.458 35 F HA 0.510 5.037 4.527 -0.000 0.000 0.336 35 F C 0.250 176.036 175.800 -0.023 0.000 1.114 35 F CA -1.722 56.263 58.000 -0.026 0.000 0.987 35 F CB 0.922 39.907 39.000 -0.026 0.000 1.130 35 F HN 0.126 nan 8.300 nan 0.000 0.458 36 D N 0.704 121.183 120.400 0.132 0.000 2.451 36 D HA 0.108 4.748 4.640 -0.000 0.000 0.259 36 D C 0.699 177.041 176.300 0.070 0.000 1.201 36 D CA -0.491 53.551 54.000 0.070 0.000 1.028 36 D CB 0.453 41.269 40.800 0.026 0.000 1.095 36 D HN 0.274 nan 8.370 nan 0.000 0.539 37 N N -0.050 118.673 118.700 0.038 0.000 2.192 37 N HA -0.141 4.599 4.740 -0.000 0.000 0.188 37 N C 0.430 175.949 175.510 0.015 0.000 1.013 37 N CA 1.056 54.120 53.050 0.023 0.000 0.863 37 N CB -0.276 38.219 38.487 0.012 0.000 0.990 37 N HN 0.498 nan 8.380 nan 0.000 0.430 38 D N -0.382 120.028 120.400 0.016 0.000 2.349 38 D HA 0.101 4.741 4.640 -0.000 0.000 0.224 38 D C 1.164 177.471 176.300 0.010 0.000 1.029 38 D CA 0.439 54.443 54.000 0.005 0.000 0.879 38 D CB -0.075 40.724 40.800 -0.002 0.000 0.906 38 D HN 0.331 nan 8.370 nan 0.000 0.528 39 G N 1.424 110.247 108.800 0.039 0.000 2.143 39 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.248 39 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.248 39 G C 0.133 175.126 174.900 0.154 0.000 0.991 39 G CA -0.114 45.019 45.100 0.055 0.000 0.689 39 G HN 0.302 nan 8.290 nan 0.000 0.522 40 K N 1.656 122.126 120.400 0.118 0.000 2.227 40 K HA 0.405 4.725 4.320 -0.000 0.000 0.280 40 K C -2.194 174.439 176.600 0.055 0.000 1.041 40 K CA -1.772 54.550 56.287 0.059 0.000 0.905 40 K CB 1.854 34.333 32.500 -0.035 0.000 1.068 40 K HN 0.120 nan 8.250 nan 0.000 0.470 41 P HA 0.062 nan 4.420 nan 0.000 0.272 41 P C -0.795 176.360 177.300 -0.242 0.000 1.223 41 P CA -0.203 62.700 63.100 -0.327 0.000 0.784 41 P CB 0.662 32.127 31.700 -0.391 0.000 0.923 42 R N 1.705 122.057 120.500 -0.246 0.000 3.171 42 R HA 0.126 4.466 4.340 -0.000 0.000 0.241 42 R C 1.527 177.757 176.300 -0.116 0.000 1.421 42 R CA -0.308 55.706 56.100 -0.142 0.000 1.444 42 R CB -0.107 30.135 30.300 -0.098 0.000 1.247 42 R HN 0.344 nan 8.270 nan 0.000 0.636 43 V N -0.740 119.096 119.914 -0.130 0.000 2.660 43 V HA -0.295 3.825 4.120 -0.000 0.000 0.257 43 V C 1.713 177.859 176.094 0.088 0.000 1.088 43 V CA 2.174 64.424 62.300 -0.083 0.000 1.106 43 V CB -0.338 31.345 31.823 -0.233 0.000 0.686 43 V HN 0.564 nan 8.190 nan 0.000 0.481 44 D N 0.575 121.001 120.400 0.044 0.000 2.123 44 D HA -0.169 4.471 4.640 -0.000 0.000 0.200 44 D C 2.136 178.479 176.300 0.072 0.000 0.976 44 D CA 1.499 55.540 54.000 0.068 0.000 0.831 44 D CB -0.400 40.421 40.800 0.035 0.000 0.974 44 D HN 0.455 nan 8.370 nan 0.000 0.469 45 I N 0.393 120.987 120.570 0.040 0.000 2.252 45 I HA -0.147 4.022 4.170 -0.000 0.000 0.245 45 I C 2.531 178.697 176.117 0.082 0.000 1.102 45 I CA 0.452 61.775 61.300 0.038 0.000 1.385 45 I CB -0.939 37.055 38.000 -0.010 0.000 1.064 45 I HN 0.056 nan 8.210 nan 0.000 0.414 46 L N 1.238 122.512 121.223 0.084 0.000 1.994 46 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 46 L C 2.648 179.643 176.870 0.209 0.000 1.071 46 L CA 1.976 56.900 54.840 0.140 0.000 0.745 46 L CB -0.836 41.289 42.059 0.109 0.000 0.892 46 L HN 0.157 nan 8.230 nan 0.000 0.431 47 K N -0.739 119.810 120.400 0.248 0.000 2.020 47 K HA -0.242 4.078 4.320 -0.000 0.000 0.212 47 K C 1.977 178.635 176.600 0.097 0.000 1.050 47 K CA 1.817 58.174 56.287 0.116 0.000 0.929 47 K CB -0.374 32.157 32.500 0.051 0.000 0.714 47 K HN 0.407 nan 8.250 nan 0.000 0.443 48 A N 0.528 123.413 122.820 0.108 0.000 1.908 48 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 48 A C 2.050 179.731 177.584 0.161 0.000 1.181 48 A CA 2.079 54.183 52.037 0.112 0.000 0.627 48 A CB -1.017 18.045 19.000 0.103 0.000 0.818 48 A HN 0.633 nan 8.150 nan 0.000 0.445 49 H N 0.028 119.139 119.070 0.069 0.000 2.293 49 H HA -0.006 4.550 4.556 -0.000 0.000 0.300 49 H C 1.809 177.173 175.328 0.061 0.000 1.082 49 H CA 1.983 58.073 56.048 0.071 0.000 1.308 49 H CB -0.404 29.397 29.762 0.065 0.000 1.375 49 H HN 0.343 nan 8.280 nan 0.000 0.495 50 L N -0.455 120.770 121.223 0.005 0.000 2.081 50 L HA -0.233 4.107 4.340 -0.000 0.000 0.212 50 L C 2.619 179.444 176.870 -0.075 0.000 1.080 50 L CA 1.460 56.208 54.840 -0.153 0.000 0.754 50 L CB -0.445 41.440 42.059 -0.290 0.000 0.893 50 L HN 0.395 nan 8.230 nan 0.000 0.433 51 M N -0.477 119.174 119.600 0.084 0.000 2.358 51 M HA -0.173 4.307 4.480 -0.000 0.000 0.264 51 M C 1.528 177.984 176.300 0.259 0.000 1.064 51 M CA 1.535 56.931 55.300 0.161 0.000 1.093 51 M CB -0.218 32.461 32.600 0.131 0.000 1.401 51 M HN 0.194 nan 8.290 nan 0.000 0.440 52 K N 0.255 120.727 120.400 0.120 0.000 2.417 52 K HA 0.095 4.415 4.320 -0.000 0.000 0.196 52 K C -0.267 176.359 176.600 0.043 0.000 1.023 52 K CA 0.053 56.397 56.287 0.096 0.000 1.122 52 K CB 0.256 32.800 32.500 0.073 0.000 0.850 52 K HN 0.237 nan 8.250 nan 0.000 0.521 53 E N -0.204 120.030 120.200 0.057 0.000 2.468 53 E HA -0.124 4.226 4.350 -0.000 0.000 0.264 53 E C -0.082 176.448 176.600 -0.115 0.000 1.069 53 E CA 0.187 56.620 56.400 0.054 0.000 0.768 53 E CB -1.653 28.108 29.700 0.101 0.000 1.332 53 E HN 0.546 nan 8.360 nan 0.000 0.398 54 G N 0.550 109.142 108.800 -0.346 0.000 2.420 54 G HA2 0.532 4.491 3.960 -0.000 0.000 0.284 54 G HA3 0.532 4.491 3.960 -0.000 0.000 0.284 54 G C -0.112 174.537 174.900 -0.418 0.000 1.177 54 G CA -0.486 44.167 45.100 -0.744 0.000 0.841 54 G HN 0.001 nan 8.290 nan 0.000 0.527 55 R N 0.126 120.555 120.500 -0.119 0.000 2.732 55 R HA 0.524 4.864 4.340 -0.000 0.000 0.278 55 R C -0.701 175.730 176.300 0.219 0.000 0.976 55 R CA -0.794 55.322 56.100 0.027 0.000 0.963 55 R CB 1.525 31.704 30.300 -0.202 0.000 1.150 55 R HN 0.264 nan 8.270 nan 0.000 0.478 56 L N 0.937 122.330 121.223 0.283 0.000 2.416 56 L HA 0.298 4.638 4.340 -0.000 0.000 0.263 56 L C 0.304 177.289 176.870 0.193 0.000 1.065 56 L CA -0.307 54.664 54.840 0.218 0.000 0.798 56 L CB 0.714 42.896 42.059 0.205 0.000 1.267 56 L HN 0.401 nan 8.230 nan 0.000 0.467 57 E N 0.528 120.792 120.200 0.108 0.000 2.360 57 E HA -0.022 4.328 4.350 -0.000 0.000 0.269 57 E C 0.686 177.372 176.600 0.144 0.000 1.022 57 E CA 0.088 56.540 56.400 0.087 0.000 0.887 57 E CB 0.833 30.561 29.700 0.047 0.000 0.990 57 E HN 0.561 nan 8.360 nan 0.000 0.426 58 E N 2.126 122.422 120.200 0.159 0.000 2.187 58 E HA -0.249 4.101 4.350 -0.000 0.000 0.199 58 E C 1.240 177.872 176.600 0.054 0.000 1.004 58 E CA 2.060 58.554 56.400 0.157 0.000 0.813 58 E CB 0.236 30.014 29.700 0.130 0.000 0.736 58 E HN 0.624 nan 8.360 nan 0.000 0.468 59 T N -1.785 112.798 114.554 0.048 0.000 2.777 59 T HA -0.087 4.263 4.350 -0.000 0.000 0.266 59 T C 1.978 176.702 174.700 0.041 0.000 1.040 59 T CA 1.127 63.242 62.100 0.026 0.000 1.141 59 T CB -0.460 68.421 68.868 0.022 0.000 0.868 59 T HN 0.029 nan 8.240 nan 0.000 0.444 60 V N 2.279 122.241 119.914 0.081 0.000 2.307 60 V HA -0.058 4.062 4.120 -0.000 0.000 0.245 60 V C 3.243 179.405 176.094 0.113 0.000 1.045 60 V CA 1.555 63.946 62.300 0.152 0.000 1.024 60 V CB -1.463 30.455 31.823 0.158 0.000 0.651 60 V HN 0.644 nan 8.190 nan 0.000 0.449 61 A N -0.143 122.692 122.820 0.026 0.000 1.892 61 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 61 A C 2.235 179.751 177.584 -0.112 0.000 1.188 61 A CA 2.109 54.081 52.037 -0.108 0.000 0.631 61 A CB -0.688 18.110 19.000 -0.336 0.000 0.822 61 A HN 0.497 nan 8.150 nan 0.000 0.447 62 L N -1.288 119.881 121.223 -0.090 0.000 2.131 62 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 62 L C 2.810 179.657 176.870 -0.038 0.000 1.092 62 L CA 1.712 56.500 54.840 -0.086 0.000 0.759 62 L CB -0.382 41.637 42.059 -0.066 0.000 0.903 62 L HN 0.505 nan 8.230 nan 0.000 0.435 63 R N 0.573 121.079 120.500 0.009 0.000 2.075 63 R HA -0.132 4.208 4.340 -0.000 0.000 0.232 63 R C 2.284 178.640 176.300 0.094 0.000 1.126 63 R CA 1.232 57.339 56.100 0.011 0.000 0.963 63 R CB -0.142 30.133 30.300 -0.041 0.000 0.858 63 R HN 0.265 nan 8.270 nan 0.000 0.435 64 I N 0.626 121.305 120.570 0.182 0.000 2.142 64 I HA -0.323 3.847 4.170 -0.000 0.000 0.240 64 I C 2.257 178.481 176.117 0.178 0.000 1.078 64 I CA 1.464 62.895 61.300 0.218 0.000 1.343 64 I CB -0.268 37.809 38.000 0.129 0.000 1.046 64 I HN 0.215 nan 8.210 nan 0.000 0.405 65 I N 0.016 120.593 120.570 0.012 0.000 2.127 65 I HA -0.352 3.818 4.170 -0.000 0.000 0.241 65 I C 2.705 178.889 176.117 0.112 0.000 1.075 65 I CA 1.960 63.193 61.300 -0.110 0.000 1.334 65 I CB -0.605 37.217 38.000 -0.297 0.000 1.040 65 I HN 0.248 nan 8.210 nan 0.000 0.405 66 T N -0.141 114.440 114.554 0.045 0.000 2.833 66 T HA -0.171 4.179 4.350 -0.000 0.000 0.269 66 T C 1.739 176.491 174.700 0.086 0.000 1.054 66 T CA 1.532 63.665 62.100 0.054 0.000 1.135 66 T CB -0.161 68.706 68.868 -0.003 0.000 0.869 66 T HN 0.366 nan 8.240 nan 0.000 0.466 67 E N -0.421 119.834 120.200 0.092 0.000 2.158 67 E HA 0.031 4.381 4.350 -0.000 0.000 0.191 67 E C 2.352 179.008 176.600 0.093 0.000 0.982 67 E CA 0.679 57.117 56.400 0.064 0.000 0.823 67 E CB -0.234 29.486 29.700 0.033 0.000 0.766 67 E HN 0.559 nan 8.360 nan 0.000 0.468 68 G N 1.268 110.189 108.800 0.200 0.000 2.394 68 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.215 68 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.215 68 G C 1.698 176.636 174.900 0.063 0.000 1.165 68 G CA 0.711 45.858 45.100 0.080 0.000 0.784 68 G HN 0.312 nan 8.290 nan 0.000 0.535 69 A N 1.082 124.076 122.820 0.290 0.000 1.908 69 A HA -0.044 4.276 4.320 -0.000 0.000 0.218 69 A C 2.693 180.362 177.584 0.142 0.000 1.181 69 A CA 2.361 54.556 52.037 0.264 0.000 0.627 69 A CB -0.673 18.483 19.000 0.259 0.000 0.818 69 A HN 0.315 nan 8.150 nan 0.000 0.445 70 S N -0.148 115.608 115.700 0.092 0.000 2.382 70 S HA -0.117 4.352 4.470 -0.000 0.000 0.228 70 S C 1.794 176.420 174.600 0.042 0.000 1.027 70 S CA 1.487 59.717 58.200 0.052 0.000 0.991 70 S CB -0.485 62.729 63.200 0.023 0.000 0.823 70 S HN 0.558 nan 8.310 nan 0.000 0.469 71 I N 1.226 121.809 120.570 0.021 0.000 2.202 71 I HA -0.169 4.001 4.170 -0.000 0.000 0.242 71 I C 2.098 178.229 176.117 0.024 0.000 1.091 71 I CA 1.120 62.420 61.300 0.001 0.000 1.368 71 I CB -0.427 37.541 38.000 -0.053 0.000 1.058 71 I HN 0.227 nan 8.210 nan 0.000 0.410 72 L N 0.290 121.521 121.223 0.013 0.000 2.046 72 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 72 L C 2.764 179.731 176.870 0.162 0.000 1.077 72 L CA 1.303 56.172 54.840 0.049 0.000 0.747 72 L CB -0.636 41.431 42.059 0.013 0.000 0.896 72 L HN 0.215 nan 8.230 nan 0.000 0.432 73 R N 0.243 120.869 120.500 0.211 0.000 2.139 73 R HA -0.222 4.118 4.340 -0.000 0.000 0.243 73 R C 2.121 178.566 176.300 0.242 0.000 1.145 73 R CA 1.633 57.924 56.100 0.319 0.000 0.976 73 R CB -0.051 30.333 30.300 0.140 0.000 0.866 73 R HN 0.500 nan 8.270 nan 0.000 0.449 74 Q N -0.376 119.508 119.800 0.140 0.000 2.389 74 Q HA 0.013 4.353 4.340 -0.000 0.000 0.204 74 Q C -0.056 176.018 176.000 0.123 0.000 0.944 74 Q CA 0.366 56.231 55.803 0.105 0.000 0.908 74 Q CB 0.388 29.163 28.738 0.061 0.000 1.002 74 Q HN 0.415 nan 8.270 nan 0.000 0.493 75 E N 1.119 121.402 120.200 0.138 0.000 2.391 75 E HA 0.107 4.457 4.350 -0.000 0.000 0.255 75 E C -0.324 176.349 176.600 0.122 0.000 1.187 75 E CA -0.271 56.203 56.400 0.125 0.000 0.941 75 E CB 0.572 30.350 29.700 0.130 0.000 1.010 75 E HN -0.203 nan 8.360 nan 0.000 0.458 76 K N 0.837 121.287 120.400 0.085 0.000 2.087 76 K HA 0.100 4.420 4.320 -0.000 0.000 0.255 76 K C 0.638 177.259 176.600 0.034 0.000 0.988 76 K CA -0.244 56.083 56.287 0.066 0.000 0.915 76 K CB 0.613 33.141 32.500 0.047 0.000 1.043 76 K HN 0.261 nan 8.250 nan 0.000 0.457 77 N N 0.760 119.471 118.700 0.018 0.000 2.061 77 N HA -0.164 4.576 4.740 -0.000 0.000 0.193 77 N C -0.066 175.440 175.510 -0.007 0.000 1.030 77 N CA 1.041 54.080 53.050 -0.017 0.000 0.856 77 N CB -0.392 38.087 38.487 -0.012 0.000 1.023 77 N HN 0.410 nan 8.380 nan 0.000 0.424 78 L N 1.706 122.932 121.223 0.005 0.000 2.301 78 L HA 0.369 4.709 4.340 -0.000 0.000 0.278 78 L C -0.693 176.168 176.870 -0.015 0.000 1.022 78 L CA -0.320 54.522 54.840 0.002 0.000 0.854 78 L CB 0.495 42.565 42.059 0.018 0.000 1.226 78 L HN -0.046 nan 8.230 nan 0.000 0.429 79 L N 3.486 124.683 121.223 -0.043 0.000 2.464 79 L HA 0.266 4.606 4.340 -0.000 0.000 0.264 79 L C 0.119 176.912 176.870 -0.127 0.000 1.199 79 L CA -0.015 54.761 54.840 -0.108 0.000 0.818 79 L CB 0.359 42.296 42.059 -0.204 0.000 1.102 79 L HN 0.553 nan 8.230 nan 0.000 0.473 80 D N 2.738 123.043 120.400 -0.158 0.000 2.461 80 D HA 0.447 5.087 4.640 -0.000 0.000 0.240 80 D C -0.685 175.499 176.300 -0.192 0.000 1.094 80 D CA -0.162 53.768 54.000 -0.117 0.000 0.868 80 D CB 1.317 42.082 40.800 -0.058 0.000 1.062 80 D HN 0.242 nan 8.370 nan 0.000 0.530 81 I N 2.062 122.521 120.570 -0.186 0.000 2.433 81 I HA 0.207 4.377 4.170 -0.000 0.000 0.292 81 I C 0.183 176.275 176.117 -0.041 0.000 1.001 81 I CA -0.833 60.348 61.300 -0.199 0.000 1.119 81 I CB 2.072 39.908 38.000 -0.273 0.000 1.289 81 I HN 0.020 nan 8.210 nan 0.000 0.438 82 D N 4.864 125.262 120.400 -0.003 0.000 2.210 82 D HA 0.440 5.080 4.640 -0.000 0.000 0.249 82 D C -0.052 176.279 176.300 0.053 0.000 1.062 82 D CA -0.177 53.845 54.000 0.036 0.000 0.891 82 D CB 2.182 42.999 40.800 0.029 0.000 1.186 82 D HN 0.563 nan 8.370 nan 0.000 0.432 83 A N 2.741 125.602 122.820 0.068 0.000 2.351 83 A HA 0.466 4.786 4.320 -0.000 0.000 0.257 83 A C -2.210 175.349 177.584 -0.042 0.000 1.087 83 A CA -0.980 51.074 52.037 0.028 0.000 0.798 83 A CB -0.114 18.856 19.000 -0.050 0.000 1.033 83 A HN 0.309 nan 8.150 nan 0.000 0.488 84 P HA 0.413 nan 4.420 nan 0.000 0.271 84 P C -1.096 176.177 177.300 -0.044 0.000 1.216 84 P CA -0.008 63.038 63.100 -0.091 0.000 0.776 84 P CB 0.874 32.515 31.700 -0.099 0.000 0.881 85 V N 0.554 120.446 119.914 -0.036 0.000 2.969 85 V HA 0.412 4.532 4.120 -0.000 0.000 0.304 85 V C -0.435 175.593 176.094 -0.111 0.000 1.192 85 V CA -0.664 61.606 62.300 -0.051 0.000 0.962 85 V CB 2.017 33.849 31.823 0.015 0.000 1.045 85 V HN 0.354 nan 8.190 nan 0.000 0.428 86 T N 3.017 117.430 114.554 -0.235 0.000 2.753 86 T HA 0.554 4.904 4.350 -0.000 0.000 0.297 86 T C -0.186 174.398 174.700 -0.193 0.000 0.981 86 T CA -0.275 61.655 62.100 -0.284 0.000 0.956 86 T CB 1.183 69.692 68.868 -0.598 0.000 0.936 86 T HN 0.531 nan 8.240 nan 0.000 0.463 87 V N 3.711 123.538 119.914 -0.146 0.000 2.439 87 V HA 0.393 4.513 4.120 -0.000 0.000 0.282 87 V C 0.215 176.208 176.094 -0.169 0.000 1.039 87 V CA -0.749 61.471 62.300 -0.134 0.000 0.913 87 V CB 0.860 32.610 31.823 -0.121 0.000 0.983 87 V HN 1.000 nan 8.190 nan 0.000 0.460 88 C N 3.661 122.807 119.300 -0.256 0.000 2.561 88 C HA 0.876 5.336 4.460 -0.000 0.000 0.319 88 C C 1.041 175.930 174.990 -0.169 0.000 1.198 88 C CA -0.613 58.227 59.018 -0.297 0.000 1.665 88 C CB 1.015 28.334 27.740 -0.702 0.000 2.258 88 C HN 1.039 nan 8.230 nan 0.000 0.493 89 G N 0.498 109.222 108.800 -0.126 0.000 2.543 89 G HA2 0.470 4.430 3.960 -0.000 0.000 0.267 89 G HA3 0.470 4.430 3.960 -0.000 0.000 0.267 89 G C -0.899 173.869 174.900 -0.221 0.000 1.406 89 G CA -0.307 44.714 45.100 -0.132 0.000 1.048 89 G HN 0.752 nan 8.290 nan 0.000 0.548 90 D N -0.311 119.845 120.400 -0.408 0.000 2.571 90 D HA 0.028 4.668 4.640 -0.000 0.000 0.231 90 D C 1.108 177.103 176.300 -0.508 0.000 1.133 90 D CA 0.083 53.750 54.000 -0.555 0.000 0.862 90 D CB 1.080 41.458 40.800 -0.704 0.000 1.179 90 D HN 0.021 nan 8.370 nan 0.000 0.474 91 I N 1.306 121.667 120.570 -0.349 0.000 3.300 91 I HA -0.054 4.116 4.170 -0.000 0.000 0.279 91 I C 0.583 176.681 176.117 -0.031 0.000 1.172 91 I CA 0.399 61.641 61.300 -0.096 0.000 1.431 91 I CB -0.640 37.433 38.000 0.122 0.000 1.240 91 I HN 0.498 nan 8.210 nan 0.000 0.453 92 H N 1.645 120.667 119.070 -0.079 0.000 2.604 92 H HA -0.168 4.388 4.556 -0.000 0.000 0.321 92 H C 1.520 176.879 175.328 0.053 0.000 1.132 92 H CA 0.822 56.835 56.048 -0.057 0.000 1.129 92 H CB -1.658 28.099 29.762 -0.009 0.000 1.526 92 H HN 0.610 nan 8.280 nan 0.000 0.415 93 G N 0.753 109.660 108.800 0.178 0.000 2.187 93 G HA2 -0.363 3.596 3.960 -0.000 0.000 0.261 93 G HA3 -0.363 3.596 3.960 -0.000 0.000 0.261 93 G C 0.466 175.595 174.900 0.381 0.000 1.000 93 G CA 0.682 45.936 45.100 0.257 0.000 0.718 93 G HN 0.619 nan 8.290 nan 0.000 0.519 94 Q N -0.598 119.402 119.800 0.334 0.000 3.091 94 Q HA 0.430 4.770 4.340 -0.000 0.000 0.301 94 Q C 1.227 177.427 176.000 0.334 0.000 1.337 94 Q CA -0.865 55.158 55.803 0.367 0.000 1.083 94 Q CB -0.015 28.895 28.738 0.287 0.000 1.477 94 Q HN 0.415 nan 8.270 nan 0.000 0.537 95 F N 0.617 120.682 119.950 0.192 0.000 2.115 95 F HA -0.273 4.254 4.527 -0.000 0.000 0.300 95 F C 0.950 176.620 175.800 -0.216 0.000 1.092 95 F CA 1.684 59.640 58.000 -0.073 0.000 1.245 95 F CB 0.053 38.896 39.000 -0.261 0.000 0.995 95 F HN 0.354 nan 8.300 nan 0.000 0.481 96 F N 0.229 120.087 119.950 -0.155 0.000 2.407 96 F HA -0.120 4.407 4.527 -0.000 0.000 0.299 96 F C 2.226 177.955 175.800 -0.119 0.000 1.097 96 F CA 1.178 59.042 58.000 -0.226 0.000 1.422 96 F CB -0.623 38.322 39.000 -0.091 0.000 1.067 96 F HN -0.010 nan 8.300 nan 0.000 0.539 97 D N -0.249 120.240 120.400 0.147 0.000 2.305 97 D HA -0.024 4.616 4.640 -0.000 0.000 0.206 97 D C 2.405 178.756 176.300 0.084 0.000 0.974 97 D CA 0.360 54.475 54.000 0.193 0.000 0.871 97 D CB 0.013 40.982 40.800 0.282 0.000 0.947 97 D HN 0.269 nan 8.370 nan 0.000 0.516 98 L N 0.516 121.712 121.223 -0.045 0.000 2.156 98 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 98 L C 2.022 178.802 176.870 -0.151 0.000 1.095 98 L CA 0.701 55.488 54.840 -0.089 0.000 0.770 98 L CB -0.005 42.025 42.059 -0.048 0.000 0.914 98 L HN -0.034 nan 8.230 nan 0.000 0.439 99 M N -0.446 118.971 119.600 -0.305 0.000 2.156 99 M HA -0.188 4.292 4.480 -0.000 0.000 0.264 99 M C 2.155 178.387 176.300 -0.114 0.000 1.067 99 M CA 1.421 56.574 55.300 -0.244 0.000 1.131 99 M CB -1.071 31.288 32.600 -0.401 0.000 1.368 99 M HN 0.055 nan 8.290 nan 0.000 0.416 100 K N 1.210 121.532 120.400 -0.130 0.000 2.057 100 K HA -0.074 4.246 4.320 -0.000 0.000 0.207 100 K C 1.951 178.299 176.600 -0.421 0.000 1.049 100 K CA 1.073 57.259 56.287 -0.169 0.000 0.931 100 K CB -0.860 31.611 32.500 -0.048 0.000 0.714 100 K HN 0.273 nan 8.250 nan 0.000 0.440 101 L N -0.266 120.598 121.223 -0.598 0.000 1.997 101 L HA -0.212 4.128 4.340 -0.000 0.000 0.216 101 L C 1.917 178.486 176.870 -0.501 0.000 1.074 101 L CA 1.761 56.088 54.840 -0.856 0.000 0.763 101 L CB -0.358 41.349 42.059 -0.587 0.000 0.890 101 L HN 0.164 nan 8.230 nan 0.000 0.434 102 F N 0.356 120.195 119.950 -0.184 0.000 2.269 102 F HA -0.187 4.340 4.527 -0.000 0.000 0.301 102 F C 2.481 178.253 175.800 -0.048 0.000 1.082 102 F CA 1.493 59.449 58.000 -0.073 0.000 1.360 102 F CB -0.452 38.508 39.000 -0.067 0.000 1.041 102 F HN 0.203 nan 8.300 nan 0.000 0.512 103 E N -0.191 120.032 120.200 0.038 0.000 2.072 103 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 103 E C 2.372 178.956 176.600 -0.027 0.000 0.985 103 E CA 1.411 57.815 56.400 0.006 0.000 0.801 103 E CB -0.249 29.432 29.700 -0.032 0.000 0.750 103 E HN 0.182 nan 8.360 nan 0.000 0.452 104 V N 0.305 120.145 119.914 -0.125 0.000 2.379 104 V HA -0.121 3.999 4.120 -0.000 0.000 0.245 104 V C 2.213 178.267 176.094 -0.067 0.000 1.044 104 V CA 1.890 64.115 62.300 -0.124 0.000 1.036 104 V CB -0.485 31.189 31.823 -0.249 0.000 0.664 104 V HN 0.379 nan 8.190 nan 0.000 0.453 105 G N -1.040 107.740 108.800 -0.035 0.000 2.603 105 G HA2 0.436 4.396 3.960 -0.000 0.000 0.214 105 G HA3 0.436 4.396 3.960 -0.000 0.000 0.214 105 G C 0.705 175.646 174.900 0.067 0.000 1.140 105 G CA 0.771 45.887 45.100 0.026 0.000 0.800 105 G HN 1.052 nan 8.290 nan 0.000 0.533 106 G N -1.057 107.849 108.800 0.176 0.000 2.484 106 G HA2 0.254 4.213 3.960 -0.000 0.000 0.685 106 G HA3 0.254 4.213 3.960 -0.000 0.000 0.685 106 G C -0.314 174.764 174.900 0.296 0.000 1.294 106 G CA -0.060 45.128 45.100 0.147 0.000 0.879 106 G HN 0.822 nan 8.290 nan 0.000 0.646 107 S N 0.858 116.650 115.700 0.154 0.000 2.549 107 S HA 0.487 4.957 4.470 -0.000 0.000 0.283 107 S C -0.513 174.138 174.600 0.085 0.000 1.320 107 S CA -0.274 57.989 58.200 0.105 0.000 1.058 107 S CB 0.982 64.195 63.200 0.021 0.000 0.882 107 S HN 0.377 nan 8.310 nan 0.000 0.498 108 P HA 0.046 nan 4.420 nan 0.000 0.226 108 P C 1.064 177.896 177.300 -0.780 0.000 1.153 108 P CA 0.905 63.864 63.100 -0.236 0.000 0.777 108 P CB 0.003 31.462 31.700 -0.402 0.000 0.794 109 A N 0.955 123.471 122.820 -0.506 0.000 2.019 109 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 109 A C 1.710 179.167 177.584 -0.212 0.000 1.164 109 A CA 1.805 53.636 52.037 -0.343 0.000 0.644 109 A CB -0.918 18.072 19.000 -0.016 0.000 0.805 109 A HN 0.366 nan 8.150 nan 0.000 0.449 110 N N -2.313 116.292 118.700 -0.159 0.000 2.142 110 N HA 0.035 4.774 4.740 -0.000 0.000 0.233 110 N C -0.927 174.532 175.510 -0.085 0.000 1.335 110 N CA 0.219 53.216 53.050 -0.088 0.000 0.837 110 N CB 0.467 38.928 38.487 -0.043 0.000 1.238 110 N HN 0.081 nan 8.380 nan 0.000 0.501 111 T N 1.335 115.831 114.554 -0.097 0.000 2.824 111 T HA 0.436 4.786 4.350 -0.000 0.000 0.282 111 T C -0.217 174.410 174.700 -0.123 0.000 0.993 111 T CA -0.673 61.351 62.100 -0.127 0.000 0.967 111 T CB 1.944 70.714 68.868 -0.163 0.000 0.960 111 T HN 0.083 nan 8.240 nan 0.000 0.441 112 R N 2.264 122.686 120.500 -0.130 0.000 2.298 112 R HA 0.455 4.795 4.340 -0.000 0.000 0.310 112 R C -1.027 175.213 176.300 -0.101 0.000 1.068 112 R CA -0.465 55.624 56.100 -0.017 0.000 0.957 112 R CB 0.448 30.782 30.300 0.055 0.000 1.003 112 R HN 0.561 nan 8.270 nan 0.000 0.454 113 Y N 1.666 122.038 120.300 0.121 0.000 2.509 113 Y HA 0.492 5.042 4.550 -0.000 0.000 0.341 113 Y C -0.063 175.977 175.900 0.232 0.000 1.038 113 Y CA -0.992 57.188 58.100 0.132 0.000 1.089 113 Y CB 2.017 40.632 38.460 0.258 0.000 1.241 113 Y HN 0.348 nan 8.280 nan 0.000 0.468 114 L N 3.724 125.122 121.223 0.292 0.000 2.482 114 L HA 0.474 4.814 4.340 -0.000 0.000 0.269 114 L C -2.020 174.930 176.870 0.134 0.000 0.967 114 L CA -0.496 54.516 54.840 0.288 0.000 0.851 114 L CB 0.887 43.039 42.059 0.154 0.000 1.242 114 L HN 0.549 nan 8.230 nan 0.000 0.404 115 F N 4.601 124.676 119.950 0.209 0.000 2.420 115 F HA 0.365 4.892 4.527 -0.000 0.000 0.342 115 F C 0.941 176.833 175.800 0.153 0.000 1.113 115 F CA -0.484 57.636 58.000 0.200 0.000 1.059 115 F CB 1.656 40.852 39.000 0.327 0.000 1.128 115 F HN 0.349 nan 8.300 nan 0.000 0.475 116 L N 3.408 124.745 121.223 0.190 0.000 2.653 116 L HA 0.369 4.709 4.340 -0.000 0.000 0.232 116 L C 0.935 177.829 176.870 0.040 0.000 1.169 116 L CA 0.123 55.029 54.840 0.111 0.000 0.951 116 L CB -1.155 40.946 42.059 0.070 0.000 1.181 116 L HN 0.928 nan 8.230 nan 0.000 0.460 117 G N -0.392 108.278 108.800 -0.215 0.000 2.483 117 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.521 117 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.521 117 G C -0.644 173.590 174.900 -1.110 0.000 1.278 117 G CA -0.698 43.914 45.100 -0.812 0.000 0.965 117 G HN 0.200 nan 8.290 nan 0.000 0.504 118 D N -1.341 118.374 120.400 -1.141 0.000 2.904 118 D HA -0.148 4.492 4.640 -0.000 0.000 0.231 118 D C 0.741 176.451 176.300 -0.982 0.000 1.185 118 D CA 1.641 55.051 54.000 -0.983 0.000 0.783 118 D CB -1.016 39.279 40.800 -0.841 0.000 0.961 118 D HN 0.664 nan 8.370 nan 0.000 0.409 119 Y N -1.373 118.680 120.300 -0.412 0.000 2.490 119 Y HA 0.147 4.696 4.550 -0.000 0.000 0.285 119 Y C 1.650 177.393 175.900 -0.262 0.000 1.117 119 Y CA 0.323 58.261 58.100 -0.270 0.000 1.262 119 Y CB 0.168 38.532 38.460 -0.160 0.000 1.043 119 Y HN 0.248 nan 8.280 nan 0.000 0.553 120 V N -3.344 116.423 119.914 -0.245 0.000 3.103 120 V HA 0.637 4.757 4.120 -0.000 0.000 0.318 120 V C -0.698 175.366 176.094 -0.051 0.000 1.114 120 V CA -1.338 60.817 62.300 -0.243 0.000 1.020 120 V CB 1.896 33.302 31.823 -0.695 0.000 1.085 120 V HN 0.183 nan 8.190 nan 0.000 0.446 121 D N -0.100 120.315 120.400 0.025 0.000 10.757 121 D HA -0.109 4.531 4.640 -0.000 0.000 0.352 121 D C 0.636 176.934 176.300 -0.003 0.000 3.129 121 D CA 0.840 54.888 54.000 0.079 0.000 2.630 121 D CB -0.241 40.609 40.800 0.082 0.000 1.214 121 D HN 1.052 nan 8.370 nan 0.000 0.943 122 R N -1.390 119.078 120.500 -0.055 0.000 1.193 122 R HA -0.166 4.174 4.340 -0.000 0.000 0.018 122 R C 1.022 177.389 176.300 0.112 0.000 0.960 122 R CA 2.339 58.384 56.100 -0.091 0.000 1.987 122 R CB -1.787 28.317 30.300 -0.326 0.000 0.132 122 R HN 0.762 nan 8.270 nan 0.000 0.732 123 G N -0.986 107.907 108.800 0.157 0.000 2.415 123 G HA2 0.379 4.339 3.960 -0.000 0.000 0.269 123 G HA3 0.379 4.339 3.960 -0.000 0.000 0.269 123 G C -0.362 174.719 174.900 0.303 0.000 1.209 123 G CA -0.320 44.910 45.100 0.217 0.000 0.835 123 G HN 0.266 nan 8.290 nan 0.000 0.534 124 Y N 1.325 121.466 120.300 -0.266 0.000 2.506 124 Y HA 0.234 4.784 4.550 -0.000 0.000 0.333 124 Y C 0.403 175.937 175.900 -0.610 0.000 1.177 124 Y CA -1.052 56.771 58.100 -0.461 0.000 1.292 124 Y CB -0.375 37.548 38.460 -0.896 0.000 1.124 124 Y HN 0.461 nan 8.280 nan 0.000 0.507 125 F N -2.527 117.605 119.950 0.304 0.000 2.790 125 F HA 0.234 4.761 4.527 -0.000 0.000 0.371 125 F C 1.512 177.417 175.800 0.175 0.000 1.293 125 F CA -0.371 57.784 58.000 0.259 0.000 1.205 125 F CB -0.020 39.192 39.000 0.353 0.000 1.047 125 F HN -0.217 nan 8.300 nan 0.000 0.510 126 S N 0.387 116.243 115.700 0.260 0.000 2.382 126 S HA -0.173 4.297 4.470 -0.000 0.000 0.228 126 S C 2.149 176.844 174.600 0.159 0.000 1.027 126 S CA 1.166 59.461 58.200 0.159 0.000 0.991 126 S CB -0.129 63.097 63.200 0.044 0.000 0.823 126 S HN 0.428 nan 8.310 nan 0.000 0.469 127 I N 2.127 122.852 120.570 0.258 0.000 2.315 127 I HA -0.129 4.041 4.170 -0.000 0.000 0.248 127 I C 1.869 177.997 176.117 0.019 0.000 1.117 127 I CA 1.412 62.820 61.300 0.181 0.000 1.404 127 I CB -0.377 37.713 38.000 0.150 0.000 1.071 127 I HN 0.110 nan 8.210 nan 0.000 0.419 128 E N -0.561 119.612 120.200 -0.046 0.000 2.153 128 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 128 E C 2.353 178.830 176.600 -0.204 0.000 0.988 128 E CA 1.506 57.690 56.400 -0.359 0.000 0.811 128 E CB -0.481 28.643 29.700 -0.960 0.000 0.746 128 E HN 0.524 nan 8.360 nan 0.000 0.466 129 C N -0.147 119.190 119.300 0.061 0.000 2.453 129 C HA -0.105 4.354 4.460 -0.000 0.000 0.277 129 C C 2.769 177.849 174.990 0.150 0.000 1.262 129 C CA 0.842 60.008 59.018 0.246 0.000 1.718 129 C CB -0.946 26.944 27.740 0.249 0.000 2.031 129 C HN 0.454 nan 8.230 nan 0.000 0.480 130 V N -0.097 119.845 119.914 0.048 0.000 2.358 130 V HA -0.153 3.967 4.120 -0.000 0.000 0.246 130 V C 2.134 178.234 176.094 0.009 0.000 1.047 130 V CA 1.883 64.154 62.300 -0.048 0.000 1.035 130 V CB -1.092 30.537 31.823 -0.323 0.000 0.658 130 V HN 0.567 nan 8.190 nan 0.000 0.452 131 L N -1.298 119.906 121.223 -0.032 0.000 2.017 131 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 131 L C 2.714 179.649 176.870 0.109 0.000 1.073 131 L CA 2.579 57.417 54.840 -0.003 0.000 0.745 131 L CB -0.773 41.251 42.059 -0.057 0.000 0.894 131 L HN 0.410 nan 8.230 nan 0.000 0.432 132 Y N 0.429 120.742 120.300 0.023 0.000 2.200 132 Y HA -0.191 4.359 4.550 -0.000 0.000 0.290 132 Y C 2.354 178.271 175.900 0.028 0.000 1.137 132 Y CA 1.384 59.516 58.100 0.054 0.000 1.163 132 Y CB -0.059 38.522 38.460 0.201 0.000 0.988 132 Y HN 0.010 nan 8.280 nan 0.000 0.518 133 L N -1.858 119.427 121.223 0.103 0.000 2.109 133 L HA -0.225 4.115 4.340 -0.000 0.000 0.207 133 L C 2.400 179.234 176.870 -0.061 0.000 1.086 133 L CA 0.864 55.652 54.840 -0.087 0.000 0.760 133 L CB -0.584 41.340 42.059 -0.226 0.000 0.910 133 L HN 0.415 nan 8.230 nan 0.000 0.437 134 W N 0.134 121.311 121.300 -0.205 0.000 2.409 134 W HA -0.144 4.516 4.660 -0.000 0.000 0.299 134 W C 2.579 179.009 176.519 -0.149 0.000 1.203 134 W CA 0.959 58.214 57.345 -0.150 0.000 1.298 134 W CB 0.016 29.423 29.460 -0.089 0.000 1.127 134 W HN 0.170 nan 8.180 nan 0.000 0.528 135 A N -0.013 122.830 122.820 0.038 0.000 1.933 135 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 135 A C 1.832 179.288 177.584 -0.214 0.000 1.175 135 A CA 1.224 53.205 52.037 -0.092 0.000 0.628 135 A CB -0.973 17.927 19.000 -0.167 0.000 0.814 135 A HN 0.178 nan 8.150 nan 0.000 0.444 136 L N -0.278 120.766 121.223 -0.298 0.000 2.141 136 L HA -0.091 4.249 4.340 -0.000 0.000 0.209 136 L C 2.280 179.044 176.870 -0.176 0.000 1.094 136 L CA 2.325 56.993 54.840 -0.286 0.000 0.763 136 L CB -0.608 41.217 42.059 -0.390 0.000 0.908 136 L HN 0.473 nan 8.230 nan 0.000 0.437 137 K N -0.028 120.242 120.400 -0.217 0.000 2.103 137 K HA -0.048 4.272 4.320 -0.000 0.000 0.204 137 K C 1.921 178.401 176.600 -0.199 0.000 1.052 137 K CA 1.495 57.637 56.287 -0.241 0.000 0.945 137 K CB -0.423 31.842 32.500 -0.392 0.000 0.722 137 K HN 0.332 nan 8.250 nan 0.000 0.443 138 I N 0.360 120.832 120.570 -0.163 0.000 2.315 138 I HA -0.203 3.967 4.170 -0.000 0.000 0.248 138 I C 2.019 178.030 176.117 -0.177 0.000 1.117 138 I CA 0.652 61.885 61.300 -0.113 0.000 1.404 138 I CB -0.190 37.801 38.000 -0.014 0.000 1.071 138 I HN 0.147 nan 8.210 nan 0.000 0.419 139 L N -0.206 120.841 121.223 -0.294 0.000 2.131 139 L HA -0.090 4.250 4.340 -0.000 0.000 0.206 139 L C 0.371 176.819 176.870 -0.703 0.000 1.087 139 L CA 1.804 56.316 54.840 -0.546 0.000 0.767 139 L CB -0.168 41.428 42.059 -0.771 0.000 0.917 139 L HN 0.174 nan 8.230 nan 0.000 0.441 140 Y N -0.356 119.857 120.300 -0.146 0.000 2.480 140 Y HA 0.361 4.911 4.550 -0.000 0.000 0.356 140 Y C -1.646 174.124 175.900 -0.218 0.000 0.922 140 Y CA -2.464 55.548 58.100 -0.148 0.000 1.146 140 Y CB -0.273 38.108 38.460 -0.132 0.000 1.185 140 Y HN 0.093 nan 8.280 nan 0.000 0.624 141 P HA -0.183 nan 4.420 nan 0.000 0.223 141 P C 0.373 177.541 177.300 -0.220 0.000 1.144 141 P CA 1.521 64.523 63.100 -0.163 0.000 0.783 141 P CB 0.432 32.076 31.700 -0.094 0.000 0.771 142 K N -0.988 119.324 120.400 -0.147 0.000 2.374 142 K HA 0.137 4.457 4.320 -0.000 0.000 0.202 142 K C 1.219 177.765 176.600 -0.090 0.000 1.040 142 K CA 0.527 56.777 56.287 -0.061 0.000 1.085 142 K CB 0.452 33.001 32.500 0.083 0.000 0.873 142 K HN 0.196 nan 8.250 nan 0.000 0.539 143 T N -2.253 112.138 114.554 -0.272 0.000 2.986 143 T HA 0.236 4.586 4.350 -0.000 0.000 0.264 143 T C 0.094 174.663 174.700 -0.218 0.000 0.964 143 T CA -0.368 61.665 62.100 -0.111 0.000 0.895 143 T CB 0.242 69.109 68.868 -0.001 0.000 1.163 143 T HN -0.019 nan 8.240 nan 0.000 0.517 144 L N 1.781 122.730 121.223 -0.455 0.000 2.319 144 L HA 0.718 5.058 4.340 -0.000 0.000 0.281 144 L C -1.831 174.723 176.870 -0.526 0.000 1.005 144 L CA -1.090 53.627 54.840 -0.205 0.000 0.828 144 L CB 1.057 43.108 42.059 -0.013 0.000 1.227 144 L HN 0.090 nan 8.230 nan 0.000 0.415 145 F N 5.021 125.076 119.950 0.174 0.000 2.508 145 F HA 0.613 5.140 4.527 -0.000 0.000 0.325 145 F C -0.454 175.438 175.800 0.153 0.000 1.090 145 F CA -0.660 57.404 58.000 0.107 0.000 0.945 145 F CB 1.668 40.725 39.000 0.095 0.000 1.156 145 F HN 0.152 nan 8.300 nan 0.000 0.463 146 L N 4.133 125.473 121.223 0.195 0.000 2.362 146 L HA 0.562 4.902 4.340 -0.000 0.000 0.275 146 L C -0.991 175.987 176.870 0.180 0.000 0.998 146 L CA -0.807 54.125 54.840 0.154 0.000 0.820 146 L CB 1.766 43.689 42.059 -0.226 0.000 1.270 146 L HN 0.451 nan 8.230 nan 0.000 0.415 147 L N 2.617 123.989 121.223 0.248 0.000 2.332 147 L HA 0.541 4.881 4.340 -0.000 0.000 0.269 147 L C 0.107 177.020 176.870 0.072 0.000 1.016 147 L CA -0.272 54.645 54.840 0.129 0.000 0.809 147 L CB 1.669 43.791 42.059 0.105 0.000 1.280 147 L HN 0.499 nan 8.230 nan 0.000 0.447 148 R N -0.122 120.367 120.500 -0.018 0.000 2.410 148 R HA 0.618 4.958 4.340 -0.000 0.000 0.288 148 R C -0.458 175.667 176.300 -0.292 0.000 1.051 148 R CA -0.184 55.846 56.100 -0.116 0.000 1.021 148 R CB 0.874 31.128 30.300 -0.076 0.000 1.032 148 R HN 0.820 nan 8.270 nan 0.000 0.481 149 G N 1.359 109.844 108.800 -0.524 0.000 2.511 149 G HA2 0.061 4.020 3.960 -0.000 0.000 0.318 149 G HA3 0.061 4.020 3.960 -0.000 0.000 0.318 149 G C 0.399 174.895 174.900 -0.674 0.000 1.210 149 G CA -0.768 43.745 45.100 -0.978 0.000 0.969 149 G HN 0.819 nan 8.290 nan 0.000 0.484 150 N N -0.430 117.824 118.700 -0.744 0.000 2.430 150 N HA -0.184 4.556 4.740 -0.000 0.000 0.186 150 N C 0.979 176.266 175.510 -0.371 0.000 1.032 150 N CA 1.253 53.942 53.050 -0.602 0.000 0.893 150 N CB -0.268 37.392 38.487 -1.377 0.000 0.957 150 N HN 0.658 nan 8.380 nan 0.000 0.442 151 H N -0.106 118.745 119.070 -0.365 0.000 2.544 151 H HA 0.141 4.697 4.556 -0.000 0.000 0.269 151 H C 0.074 175.297 175.328 -0.175 0.000 0.970 151 H CA 0.261 56.195 56.048 -0.190 0.000 1.219 151 H CB 0.481 30.146 29.762 -0.162 0.000 1.421 151 H HN 0.258 nan 8.280 nan 0.000 0.555 152 E N 1.473 121.522 120.200 -0.252 0.000 2.148 152 E HA 0.090 4.440 4.350 -0.000 0.000 0.308 152 E C -0.277 176.375 176.600 0.086 0.000 1.278 152 E CA -0.209 55.943 56.400 -0.414 0.000 1.368 152 E CB -0.379 28.834 29.700 -0.811 0.000 1.229 152 E HN 0.366 nan 8.360 nan 0.000 0.494 153 C N -2.157 117.292 119.300 0.249 0.000 3.336 153 C HA 0.517 4.977 4.460 -0.000 0.000 0.339 153 C C 1.296 176.468 174.990 0.303 0.000 1.468 153 C CA -0.948 58.236 59.018 0.277 0.000 1.287 153 C CB 1.523 29.396 27.740 0.221 0.000 1.682 153 C HN 0.476 nan 8.230 nan 0.000 0.451 154 R N 0.098 120.773 120.500 0.291 0.000 2.055 154 R HA 0.024 4.363 4.340 -0.000 0.000 0.226 154 R C 2.224 178.720 176.300 0.325 0.000 1.135 154 R CA 2.140 58.425 56.100 0.308 0.000 0.959 154 R CB -0.674 29.776 30.300 0.250 0.000 0.854 154 R HN 0.984 nan 8.270 nan 0.000 0.431 155 H N 0.088 119.289 119.070 0.219 0.000 2.352 155 H HA -0.062 4.494 4.556 -0.000 0.000 0.299 155 H C 1.810 177.296 175.328 0.263 0.000 1.097 155 H CA 1.430 57.592 56.048 0.190 0.000 1.311 155 H CB -0.339 29.495 29.762 0.119 0.000 1.377 155 H HN 0.085 nan 8.280 nan 0.000 0.504 156 L N 0.850 121.978 121.223 -0.157 0.000 2.109 156 L HA -0.081 4.259 4.340 -0.000 0.000 0.207 156 L C 2.657 179.799 176.870 0.453 0.000 1.086 156 L CA 1.597 56.525 54.840 0.146 0.000 0.760 156 L CB -0.676 41.323 42.059 -0.099 0.000 0.910 156 L HN 0.630 nan 8.230 nan 0.000 0.437 157 T N -3.772 111.031 114.554 0.415 0.000 2.951 157 T HA -0.172 4.178 4.350 -0.000 0.000 0.268 157 T C 1.613 176.541 174.700 0.380 0.000 1.073 157 T CA 0.895 63.317 62.100 0.537 0.000 1.134 157 T CB -0.037 69.285 68.868 0.757 0.000 0.884 157 T HN 0.289 nan 8.240 nan 0.000 0.479 158 E N -0.544 119.839 120.200 0.304 0.000 2.112 158 E HA -0.043 4.307 4.350 -0.000 0.000 0.190 158 E C 1.833 178.532 176.600 0.165 0.000 0.979 158 E CA 0.439 56.937 56.400 0.163 0.000 0.814 158 E CB -0.145 29.654 29.700 0.166 0.000 0.762 158 E HN 0.560 nan 8.360 nan 0.000 0.460 159 Y N 0.163 120.486 120.300 0.038 0.000 2.133 159 Y HA -0.087 4.463 4.550 -0.000 0.000 0.287 159 Y C 0.463 176.241 175.900 -0.203 0.000 1.134 159 Y CA 1.021 59.041 58.100 -0.133 0.000 1.133 159 Y CB -0.355 37.953 38.460 -0.254 0.000 0.987 159 Y HN -0.130 nan 8.280 nan 0.000 0.502 160 F N -0.272 119.696 119.950 0.029 0.000 2.251 160 F HA 0.158 4.684 4.527 -0.000 0.000 0.302 160 F C 2.071 177.882 175.800 0.017 0.000 1.143 160 F CA 0.517 58.484 58.000 -0.055 0.000 1.104 160 F CB -0.261 38.793 39.000 0.089 0.000 1.516 160 F HN -0.138 nan 8.300 nan 0.000 0.511 161 T N -2.329 112.377 114.554 0.254 0.000 3.194 161 T HA -0.061 4.288 4.350 -0.000 0.000 0.251 161 T C 1.532 176.315 174.700 0.140 0.000 1.132 161 T CA 0.302 62.464 62.100 0.104 0.000 1.028 161 T CB -0.893 67.911 68.868 -0.106 0.000 0.976 161 T HN 0.390 nan 8.240 nan 0.000 0.535 162 F N 2.353 122.347 119.950 0.074 0.000 2.113 162 F HA 0.202 4.729 4.527 -0.000 0.000 0.297 162 F C 2.149 177.923 175.800 -0.044 0.000 1.103 162 F CA 0.692 58.727 58.000 0.057 0.000 1.248 162 F CB -0.352 38.778 39.000 0.218 0.000 0.999 162 F HN 0.084 nan 8.300 nan 0.000 0.475 163 K N -0.073 120.177 120.400 -0.249 0.000 2.009 163 K HA -0.298 4.022 4.320 -0.000 0.000 0.210 163 K C 2.226 178.481 176.600 -0.575 0.000 1.049 163 K CA 1.887 57.722 56.287 -0.753 0.000 0.929 163 K CB -0.378 31.656 32.500 -0.778 0.000 0.714 163 K HN 0.278 nan 8.250 nan 0.000 0.440 164 Q N 1.317 120.892 119.800 -0.374 0.000 2.135 164 Q HA -0.215 4.125 4.340 -0.000 0.000 0.204 164 Q C 1.781 177.429 176.000 -0.588 0.000 0.981 164 Q CA 2.097 57.690 55.803 -0.351 0.000 0.856 164 Q CB -0.131 28.503 28.738 -0.173 0.000 0.902 164 Q HN 0.400 nan 8.270 nan 0.000 0.425 165 E N -1.082 118.676 120.200 -0.736 0.000 2.031 165 E HA -0.190 4.159 4.350 -0.000 0.000 0.193 165 E C 1.880 178.072 176.600 -0.679 0.000 0.994 165 E CA 1.454 57.188 56.400 -1.111 0.000 0.800 165 E CB -0.220 29.029 29.700 -0.751 0.000 0.752 165 E HN 0.536 nan 8.360 nan 0.000 0.447 166 C N 1.340 120.312 119.300 -0.546 0.000 2.411 166 C HA -0.128 4.332 4.460 -0.000 0.000 0.279 166 C C 2.607 177.443 174.990 -0.256 0.000 1.288 166 C CA 1.395 60.197 59.018 -0.361 0.000 1.764 166 C CB -0.900 26.588 27.740 -0.420 0.000 1.974 166 C HN 0.531 nan 8.230 nan 0.000 0.498 167 K N 0.474 120.673 120.400 -0.335 0.000 2.167 167 K HA -0.029 4.291 4.320 -0.000 0.000 0.203 167 K C 1.717 178.180 176.600 -0.227 0.000 1.052 167 K CA 1.385 57.525 56.287 -0.245 0.000 0.956 167 K CB -0.226 32.124 32.500 -0.250 0.000 0.735 167 K HN 0.259 nan 8.250 nan 0.000 0.451 168 I N 1.942 122.312 120.570 -0.334 0.000 2.333 168 I HA -0.104 4.065 4.170 -0.000 0.000 0.246 168 I C 1.948 177.921 176.117 -0.240 0.000 1.106 168 I CA 1.364 62.488 61.300 -0.293 0.000 1.411 168 I CB -0.569 37.153 38.000 -0.464 0.000 1.082 168 I HN 0.253 nan 8.210 nan 0.000 0.420 169 K N -1.063 119.164 120.400 -0.290 0.000 2.166 169 K HA -0.006 4.314 4.320 -0.000 0.000 0.201 169 K C 1.105 177.429 176.600 -0.460 0.000 1.052 169 K CA 0.979 57.090 56.287 -0.293 0.000 0.969 169 K CB 0.280 32.666 32.500 -0.190 0.000 0.761 169 K HN 0.161 nan 8.250 nan 0.000 0.459 170 Y N -0.446 119.762 120.300 -0.154 0.000 2.725 170 Y HA 0.178 4.728 4.550 -0.000 0.000 0.112 170 Y C 0.554 176.383 175.900 -0.118 0.000 0.888 170 Y CA -0.289 57.742 58.100 -0.115 0.000 1.840 170 Y CB 0.409 38.801 38.460 -0.114 0.000 1.177 170 Y HN -0.061 nan 8.280 nan 0.000 0.263 171 S N -1.220 114.526 115.700 0.077 0.000 2.636 171 S HA 0.199 4.668 4.470 -0.000 0.000 0.268 171 S C 0.034 174.609 174.600 -0.041 0.000 1.159 171 S CA -0.550 57.642 58.200 -0.014 0.000 0.815 171 S CB 1.528 64.729 63.200 0.002 0.000 1.130 171 S HN 0.446 nan 8.310 nan 0.000 0.471 172 E N 0.167 120.338 120.200 -0.048 0.000 2.347 172 E HA -0.069 4.281 4.350 -0.000 0.000 0.196 172 E C 1.964 178.576 176.600 0.019 0.000 1.008 172 E CA 0.595 56.987 56.400 -0.014 0.000 0.852 172 E CB -0.038 29.643 29.700 -0.032 0.000 0.783 172 E HN 0.575 nan 8.360 nan 0.000 0.505 173 R N -0.113 120.378 120.500 -0.016 0.000 2.073 173 R HA -0.121 4.219 4.340 -0.000 0.000 0.234 173 R C 2.131 178.386 176.300 -0.076 0.000 1.134 173 R CA 1.457 57.537 56.100 -0.034 0.000 0.952 173 R CB -0.155 30.127 30.300 -0.030 0.000 0.850 173 R HN 0.063 nan 8.270 nan 0.000 0.433 174 V N 0.414 120.273 119.914 -0.092 0.000 2.343 174 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 174 V C 1.999 177.961 176.094 -0.220 0.000 1.051 174 V CA 1.956 64.147 62.300 -0.181 0.000 1.036 174 V CB -0.777 30.904 31.823 -0.236 0.000 0.654 174 V HN 0.417 nan 8.190 nan 0.000 0.451 175 Y N 1.822 121.943 120.300 -0.298 0.000 2.081 175 Y HA -0.293 4.257 4.550 -0.000 0.000 0.280 175 Y C 2.368 178.106 175.900 -0.270 0.000 1.163 175 Y CA 2.193 60.076 58.100 -0.361 0.000 1.135 175 Y CB -0.551 37.703 38.460 -0.343 0.000 0.970 175 Y HN 0.348 nan 8.280 nan 0.000 0.498 176 D N 0.184 120.428 120.400 -0.259 0.000 2.149 176 D HA -0.194 4.446 4.640 -0.000 0.000 0.198 176 D C 2.312 178.433 176.300 -0.298 0.000 0.990 176 D CA 1.514 55.349 54.000 -0.275 0.000 0.839 176 D CB -0.739 40.006 40.800 -0.091 0.000 0.948 176 D HN 0.505 nan 8.370 nan 0.000 0.460 177 A N 0.464 123.127 122.820 -0.261 0.000 1.877 177 A HA -0.209 4.111 4.320 -0.000 0.000 0.216 177 A C 2.554 179.923 177.584 -0.358 0.000 1.186 177 A CA 1.491 53.383 52.037 -0.243 0.000 0.620 177 A CB -1.013 17.860 19.000 -0.212 0.000 0.822 177 A HN 0.368 nan 8.150 nan 0.000 0.443 178 C N -0.924 118.058 119.300 -0.531 0.000 2.429 178 C HA -0.139 4.321 4.460 -0.000 0.000 0.277 178 C C 2.890 177.267 174.990 -1.022 0.000 1.262 178 C CA 1.332 59.829 59.018 -0.867 0.000 1.733 178 C CB -1.096 26.137 27.740 -0.845 0.000 2.010 178 C HN 0.573 nan 8.230 nan 0.000 0.483 179 M N 1.050 120.205 119.600 -0.741 0.000 2.080 179 M HA -0.126 4.354 4.480 -0.000 0.000 0.260 179 M C 1.730 177.932 176.300 -0.162 0.000 1.068 179 M CA 1.770 56.811 55.300 -0.433 0.000 1.109 179 M CB -1.587 30.778 32.600 -0.391 0.000 1.342 179 M HN 0.390 nan 8.290 nan 0.000 0.405 180 D N 0.170 120.482 120.400 -0.146 0.000 2.178 180 D HA -0.026 4.614 4.640 -0.000 0.000 0.202 180 D C 1.968 178.316 176.300 0.080 0.000 0.974 180 D CA 1.401 55.397 54.000 -0.008 0.000 0.841 180 D CB -0.159 40.627 40.800 -0.023 0.000 0.953 180 D HN 0.344 nan 8.370 nan 0.000 0.478 181 A N 0.757 123.594 122.820 0.028 0.000 1.897 181 A HA -0.119 4.201 4.320 -0.000 0.000 0.215 181 A C 1.885 179.752 177.584 0.471 0.000 1.181 181 A CA 0.647 52.830 52.037 0.243 0.000 0.620 181 A CB -0.731 18.390 19.000 0.203 0.000 0.821 181 A HN 0.056 nan 8.150 nan 0.000 0.443 182 F N 1.219 121.295 119.950 0.211 0.000 2.202 182 F HA -0.144 4.383 4.527 -0.000 0.000 0.301 182 F C 1.696 177.586 175.800 0.149 0.000 1.082 182 F CA 1.089 59.216 58.000 0.213 0.000 1.313 182 F CB -0.981 38.097 39.000 0.131 0.000 1.024 182 F HN 0.269 nan 8.300 nan 0.000 0.495 183 D N -1.212 119.380 120.400 0.319 0.000 2.350 183 D HA -0.103 4.536 4.640 -0.000 0.000 0.216 183 D C 2.009 178.398 176.300 0.149 0.000 0.968 183 D CA 0.733 54.857 54.000 0.207 0.000 0.894 183 D CB -0.407 40.525 40.800 0.221 0.000 0.909 183 D HN 0.256 nan 8.370 nan 0.000 0.520 184 C N 0.185 119.632 119.300 0.245 0.000 2.799 184 C HA 0.232 4.692 4.460 -0.000 0.000 0.267 184 C C 1.119 176.159 174.990 0.083 0.000 1.257 184 C CA -0.692 58.471 59.018 0.243 0.000 1.702 184 C CB -0.760 27.198 27.740 0.363 0.000 1.934 184 C HN 0.198 nan 8.230 nan 0.000 0.594 185 L N 2.653 123.934 121.223 0.096 0.000 2.462 185 L HA 0.175 4.514 4.340 -0.000 0.000 0.272 185 L C -2.087 174.765 176.870 -0.030 0.000 1.166 185 L CA -1.131 53.741 54.840 0.055 0.000 0.880 185 L CB 0.176 42.300 42.059 0.107 0.000 1.142 185 L HN -0.093 nan 8.230 nan 0.000 0.473 186 P HA -0.078 nan 4.420 nan 0.000 0.269 186 P C 0.261 177.544 177.300 -0.028 0.000 1.217 186 P CA -0.253 62.832 63.100 -0.026 0.000 0.783 186 P CB 0.611 32.326 31.700 0.025 0.000 0.898 187 L N 0.999 122.198 121.223 -0.040 0.000 2.298 187 L HA 0.317 4.657 4.340 -0.000 0.000 0.209 187 L C 1.025 177.889 176.870 -0.010 0.000 1.084 187 L CA 1.079 55.901 54.840 -0.031 0.000 0.816 187 L CB -1.280 40.757 42.059 -0.037 0.000 0.967 187 L HN 0.423 nan 8.230 nan 0.000 0.460 188 A N -1.766 121.053 122.820 -0.003 0.000 2.568 188 A HA 0.887 5.207 4.320 -0.000 0.000 0.291 188 A C -1.612 175.973 177.584 0.002 0.000 1.159 188 A CA 0.050 52.090 52.037 0.005 0.000 0.679 188 A CB 1.034 20.037 19.000 0.005 0.000 1.285 188 A HN 0.042 nan 8.150 nan 0.000 0.428 189 A N -0.179 122.644 122.820 0.004 0.000 2.488 189 A HA 0.660 4.979 4.320 -0.000 0.000 0.298 189 A C -1.454 176.137 177.584 0.011 0.000 1.044 189 A CA -0.240 51.785 52.037 -0.019 0.000 0.693 189 A CB 1.168 20.144 19.000 -0.039 0.000 1.272 189 A HN 1.336 nan 8.150 nan 0.000 0.402 190 L N 4.152 125.375 121.223 0.001 0.000 2.314 190 L HA 0.377 4.717 4.340 -0.000 0.000 0.275 190 L C -0.302 176.592 176.870 0.040 0.000 1.068 190 L CA -0.349 54.514 54.840 0.037 0.000 0.894 190 L CB 0.575 42.648 42.059 0.025 0.000 1.275 190 L HN 0.831 nan 8.230 nan 0.000 0.432 191 M N 5.629 125.287 119.600 0.097 0.000 2.105 191 M HA 0.103 4.582 4.480 -0.000 0.000 0.350 191 M C 0.639 177.077 176.300 0.229 0.000 1.308 191 M CA 0.661 56.035 55.300 0.124 0.000 1.108 191 M CB 0.187 32.837 32.600 0.085 0.000 1.622 191 M HN 0.768 nan 8.290 nan 0.000 0.468 192 N N 3.959 122.757 118.700 0.163 0.000 2.747 192 N HA -0.172 4.567 4.740 -0.000 0.000 0.249 192 N C -0.560 175.011 175.510 0.101 0.000 1.107 192 N CA 0.889 54.043 53.050 0.173 0.000 0.707 192 N CB -0.193 38.504 38.487 0.349 0.000 1.054 192 N HN 0.909 nan 8.380 nan 0.000 0.555 193 Q N -2.741 117.091 119.800 0.054 0.000 2.481 193 Q HA -0.269 4.071 4.340 -0.000 0.000 0.258 193 Q C 0.522 176.493 176.000 -0.049 0.000 0.961 193 Q CA 2.000 57.805 55.803 0.003 0.000 1.121 193 Q CB -1.517 27.217 28.738 -0.007 0.000 1.503 193 Q HN 0.810 nan 8.270 nan 0.000 0.544 194 Q N -1.585 118.174 119.800 -0.068 0.000 2.577 194 Q HA 0.235 4.575 4.340 -0.000 0.000 0.242 194 Q C -0.190 175.543 176.000 -0.444 0.000 0.818 194 Q CA 0.292 55.891 55.803 -0.340 0.000 0.962 194 Q CB 0.769 29.122 28.738 -0.643 0.000 1.272 194 Q HN 0.204 nan 8.270 nan 0.000 0.593 195 F N 1.078 120.999 119.950 -0.048 0.000 2.458 195 F HA 0.397 4.924 4.527 -0.000 0.000 0.330 195 F C -0.247 175.561 175.800 0.014 0.000 1.082 195 F CA -1.032 56.955 58.000 -0.022 0.000 0.995 195 F CB 1.288 40.248 39.000 -0.066 0.000 1.170 195 F HN -0.060 nan 8.300 nan 0.000 0.478 196 L N 3.743 125.097 121.223 0.217 0.000 2.262 196 L HA 0.462 4.802 4.340 -0.000 0.000 0.288 196 L C -1.362 175.561 176.870 0.088 0.000 1.035 196 L CA -0.289 54.635 54.840 0.139 0.000 0.820 196 L CB 0.399 42.544 42.059 0.142 0.000 1.204 196 L HN 0.721 nan 8.230 nan 0.000 0.424 197 C N 5.890 125.227 119.300 0.062 0.000 2.273 197 C HA 0.717 5.177 4.460 -0.000 0.000 0.328 197 C C 0.447 175.443 174.990 0.010 0.000 1.275 197 C CA -0.716 58.319 59.018 0.029 0.000 1.704 197 C CB 0.525 28.277 27.740 0.021 0.000 2.326 197 C HN 0.660 nan 8.230 nan 0.000 0.517 198 V N 0.638 120.550 119.914 -0.004 0.000 3.202 198 V HA 0.516 4.635 4.120 -0.000 0.000 0.306 198 V C 0.388 176.490 176.094 0.013 0.000 1.283 198 V CA -0.552 61.746 62.300 -0.003 0.000 1.065 198 V CB 1.514 33.312 31.823 -0.041 0.000 1.079 198 V HN 0.781 nan 8.190 nan 0.000 0.448 199 H N 1.015 120.027 119.070 -0.095 0.000 2.399 199 H HA 0.349 4.905 4.556 -0.000 0.000 0.300 199 H C 1.696 176.939 175.328 -0.142 0.000 1.048 199 H CA 2.347 58.315 56.048 -0.134 0.000 1.370 199 H CB 0.361 29.991 29.762 -0.221 0.000 1.428 199 H HN 0.910 nan 8.280 nan 0.000 0.534 200 G N -1.510 107.194 108.800 -0.160 0.000 2.641 200 G HA2 0.454 4.413 3.960 -0.000 0.000 0.211 200 G HA3 0.454 4.413 3.960 -0.000 0.000 0.211 200 G C 0.545 175.510 174.900 0.110 0.000 1.190 200 G CA 0.471 45.487 45.100 -0.140 0.000 0.842 200 G HN 0.805 nan 8.290 nan 0.000 0.585 201 G N -0.787 108.050 108.800 0.061 0.000 2.439 201 G HA2 0.299 4.259 3.960 -0.000 0.000 0.186 201 G HA3 0.299 4.259 3.960 -0.000 0.000 0.186 201 G C -1.454 173.312 174.900 -0.224 0.000 1.260 201 G CA -0.538 44.526 45.100 -0.059 0.000 1.020 201 G HN 0.319 nan 8.290 nan 0.000 0.470 202 L N 0.796 121.709 121.223 -0.517 0.000 2.468 202 L HA 0.811 5.151 4.340 -0.000 0.000 0.254 202 L C 0.967 177.858 176.870 0.035 0.000 1.171 202 L CA -0.165 54.486 54.840 -0.315 0.000 0.809 202 L CB 1.289 43.124 42.059 -0.373 0.000 1.155 202 L HN 0.877 nan 8.230 nan 0.000 0.473 203 S N -0.321 115.310 115.700 -0.114 0.000 2.546 203 S HA 0.579 5.049 4.470 -0.000 0.000 0.274 203 S C -2.288 171.810 174.600 -0.838 0.000 1.121 203 S CA -1.024 56.962 58.200 -0.357 0.000 0.887 203 S CB 1.759 64.869 63.200 -0.150 0.000 1.094 203 S HN 0.355 nan 8.310 nan 0.000 0.474 204 P HA 0.040 nan 4.420 nan 0.000 0.219 204 P C 0.197 177.241 177.300 -0.427 0.000 1.150 204 P CA 0.974 63.415 63.100 -1.099 0.000 0.814 204 P CB 0.105 31.220 31.700 -0.974 0.000 0.787 205 E N -0.983 119.044 120.200 -0.289 0.000 2.437 205 E HA 0.153 4.503 4.350 -0.000 0.000 0.189 205 E C 0.151 176.709 176.600 -0.070 0.000 1.054 205 E CA 0.010 56.335 56.400 -0.126 0.000 0.874 205 E CB -0.017 29.642 29.700 -0.067 0.000 1.011 205 E HN 0.308 nan 8.360 nan 0.000 0.474 206 I N 1.322 121.849 120.570 -0.072 0.000 2.495 206 I HA 0.153 4.323 4.170 -0.000 0.000 0.277 206 I C -0.236 175.959 176.117 0.130 0.000 1.045 206 I CA -0.340 60.976 61.300 0.027 0.000 1.135 206 I CB 1.222 39.231 38.000 0.016 0.000 1.241 206 I HN -0.027 nan 8.210 nan 0.000 0.469 207 N N 2.534 121.292 118.700 0.096 0.000 2.205 207 N HA 0.095 4.835 4.740 -0.000 0.000 0.201 207 N C -0.106 175.378 175.510 -0.043 0.000 1.128 207 N CA -0.056 53.022 53.050 0.046 0.000 0.867 207 N CB 0.872 39.295 38.487 -0.107 0.000 0.996 207 N HN 0.611 nan 8.380 nan 0.000 0.503 208 T N -3.432 111.164 114.554 0.071 0.000 2.821 208 T HA 0.284 4.633 4.350 -0.000 0.000 0.306 208 T C 0.294 175.064 174.700 0.116 0.000 1.313 208 T CA -0.748 61.365 62.100 0.023 0.000 1.012 208 T CB 1.142 70.033 68.868 0.039 0.000 1.298 208 T HN -0.292 nan 8.240 nan 0.000 0.502 209 L N 0.888 122.161 121.223 0.084 0.000 2.131 209 L HA 0.048 4.388 4.340 -0.000 0.000 0.210 209 L C 2.124 179.039 176.870 0.074 0.000 1.092 209 L CA 1.679 56.586 54.840 0.112 0.000 0.759 209 L CB -1.205 40.899 42.059 0.075 0.000 0.903 209 L HN 0.759 nan 8.230 nan 0.000 0.435 210 D N -0.467 119.964 120.400 0.052 0.000 2.178 210 D HA -0.163 4.477 4.640 -0.000 0.000 0.201 210 D C 1.710 178.036 176.300 0.042 0.000 0.980 210 D CA 0.810 54.834 54.000 0.040 0.000 0.842 210 D CB 0.009 40.828 40.800 0.031 0.000 0.948 210 D HN 0.314 nan 8.370 nan 0.000 0.472 211 D N -0.119 120.312 120.400 0.051 0.000 2.178 211 D HA -0.086 4.554 4.640 -0.000 0.000 0.201 211 D C 2.195 178.519 176.300 0.040 0.000 0.980 211 D CA 0.427 54.453 54.000 0.043 0.000 0.842 211 D CB 0.059 40.889 40.800 0.049 0.000 0.948 211 D HN 0.341 nan 8.370 nan 0.000 0.472 212 I N 0.558 121.158 120.570 0.051 0.000 2.277 212 I HA -0.153 4.017 4.170 -0.000 0.000 0.243 212 I C 2.455 178.589 176.117 0.028 0.000 1.094 212 I CA 0.609 61.931 61.300 0.036 0.000 1.393 212 I CB -0.106 37.921 38.000 0.045 0.000 1.078 212 I HN -0.144 nan 8.210 nan 0.000 0.417 213 R N 1.419 121.939 120.500 0.034 0.000 2.105 213 R HA -0.155 4.185 4.340 -0.000 0.000 0.239 213 R C 1.651 177.971 176.300 0.034 0.000 1.135 213 R CA 1.199 57.318 56.100 0.033 0.000 0.967 213 R CB -0.320 30.000 30.300 0.034 0.000 0.861 213 R HN 0.368 nan 8.270 nan 0.000 0.442 214 K N 0.788 121.207 120.400 0.032 0.000 2.522 214 K HA 0.115 4.435 4.320 -0.000 0.000 0.194 214 K C 0.150 176.767 176.600 0.029 0.000 1.026 214 K CA 0.202 56.507 56.287 0.031 0.000 1.119 214 K CB 0.075 32.591 32.500 0.027 0.000 0.856 214 K HN 0.137 nan 8.250 nan 0.000 0.513 215 L N 0.930 122.168 121.223 0.025 0.000 2.379 215 L HA 0.203 4.542 4.340 -0.000 0.000 0.269 215 L C 0.146 177.032 176.870 0.028 0.000 1.084 215 L CA -0.811 54.039 54.840 0.017 0.000 0.802 215 L CB 0.749 42.810 42.059 0.002 0.000 1.175 215 L HN 0.005 nan 8.230 nan 0.000 0.448 216 D N 1.355 121.774 120.400 0.033 0.000 2.359 216 D HA 0.114 4.754 4.640 -0.000 0.000 0.230 216 D C 0.706 177.015 176.300 0.015 0.000 1.118 216 D CA -0.223 53.819 54.000 0.069 0.000 0.844 216 D CB 1.245 42.096 40.800 0.085 0.000 1.059 216 D HN 0.467 nan 8.370 nan 0.000 0.493 217 R N 3.426 123.881 120.500 -0.076 0.000 2.080 217 R HA 0.015 4.355 4.340 -0.000 0.000 0.222 217 R C 0.545 176.677 176.300 -0.279 0.000 1.107 217 R CA 0.409 56.352 56.100 -0.262 0.000 0.980 217 R CB -0.157 29.845 30.300 -0.497 0.000 0.879 217 R HN 0.266 nan 8.270 nan 0.000 0.439 218 F N 3.781 123.763 119.950 0.053 0.000 2.659 218 F HA 0.100 4.627 4.527 -0.000 0.000 0.356 218 F C 0.178 176.011 175.800 0.054 0.000 1.273 218 F CA 0.468 58.503 58.000 0.058 0.000 1.243 218 F CB -0.370 38.659 39.000 0.048 0.000 1.683 218 F HN 0.155 nan 8.300 nan 0.000 0.679 219 K N -1.153 119.328 120.400 0.136 0.000 2.680 219 K HA 0.431 4.751 4.320 -0.000 0.000 0.295 219 K C -1.414 175.250 176.600 0.105 0.000 1.052 219 K CA -1.288 55.069 56.287 0.116 0.000 0.863 219 K CB 0.874 33.426 32.500 0.086 0.000 1.549 219 K HN -0.031 nan 8.250 nan 0.000 0.391 220 E N 1.437 121.699 120.200 0.105 0.000 2.316 220 E HA 0.273 4.623 4.350 -0.000 0.000 0.275 220 E C -2.349 174.317 176.600 0.109 0.000 1.029 220 E CA -1.823 54.656 56.400 0.131 0.000 0.871 220 E CB 0.863 30.640 29.700 0.129 0.000 1.022 220 E HN 0.294 nan 8.360 nan 0.000 0.418 221 P HA 0.073 nan 4.420 nan 0.000 0.264 221 P C -2.435 174.901 177.300 0.060 0.000 1.193 221 P CA -0.653 62.524 63.100 0.127 0.000 0.763 221 P CB 0.194 32.037 31.700 0.239 0.000 0.810 222 P HA 0.002 nan 4.420 nan 0.000 0.271 222 P C 0.569 177.798 177.300 -0.118 0.000 1.233 222 P CA -0.033 63.005 63.100 -0.103 0.000 0.789 222 P CB 0.415 31.999 31.700 -0.192 0.000 0.951 223 A N 0.864 123.608 122.820 -0.127 0.000 2.125 223 A HA 0.019 4.339 4.320 -0.000 0.000 0.219 223 A C 0.319 177.949 177.584 0.077 0.000 1.156 223 A CA 1.489 53.493 52.037 -0.056 0.000 0.671 223 A CB -1.162 17.870 19.000 0.054 0.000 0.794 223 A HN 0.673 nan 8.150 nan 0.000 0.459 224 Y N -5.690 114.564 120.300 -0.078 0.000 2.814 224 Y HA 0.522 5.071 4.550 -0.000 0.000 0.348 224 Y C -0.084 175.824 175.900 0.012 0.000 1.245 224 Y CA -1.187 56.891 58.100 -0.037 0.000 1.086 224 Y CB 0.095 38.544 38.460 -0.019 0.000 1.373 224 Y HN 1.230 nan 8.280 nan 0.000 0.451 225 G N 0.185 109.055 108.800 0.117 0.000 2.462 225 G HA2 0.092 4.052 3.960 -0.000 0.000 0.685 225 G HA3 0.092 4.052 3.960 -0.000 0.000 0.685 225 G C -2.561 172.366 174.900 0.044 0.000 1.295 225 G CA -0.497 44.610 45.100 0.011 0.000 0.941 225 G HN 0.733 nan 8.290 nan 0.000 0.554 226 P HA -0.256 nan 4.420 nan 0.000 0.215 226 P C 2.044 179.361 177.300 0.028 0.000 1.163 226 P CA 2.477 65.582 63.100 0.009 0.000 0.894 226 P CB -0.006 31.689 31.700 -0.007 0.000 0.791 227 M N -0.674 118.937 119.600 0.019 0.000 2.159 227 M HA -0.152 4.327 4.480 -0.000 0.000 0.263 227 M C 2.475 178.833 176.300 0.097 0.000 1.063 227 M CA 1.914 57.236 55.300 0.036 0.000 1.110 227 M CB -0.667 31.942 32.600 0.016 0.000 1.374 227 M HN 0.034 nan 8.290 nan 0.000 0.411 228 C N 1.029 120.393 119.300 0.107 0.000 2.436 228 C HA -0.168 4.292 4.460 -0.000 0.000 0.277 228 C C 2.179 177.347 174.990 0.297 0.000 1.241 228 C CA 1.644 60.782 59.018 0.200 0.000 1.721 228 C CB -1.157 26.630 27.740 0.078 0.000 2.043 228 C HN 0.593 nan 8.230 nan 0.000 0.472 229 D N 0.871 121.398 120.400 0.211 0.000 2.106 229 D HA -0.136 4.503 4.640 -0.000 0.000 0.191 229 D C 2.043 178.464 176.300 0.202 0.000 0.997 229 D CA 1.808 55.953 54.000 0.241 0.000 0.834 229 D CB -0.584 40.329 40.800 0.188 0.000 0.956 229 D HN 0.588 nan 8.370 nan 0.000 0.448 230 I N 0.308 120.945 120.570 0.112 0.000 2.145 230 I HA -0.303 3.867 4.170 -0.000 0.000 0.244 230 I C 2.135 178.280 176.117 0.048 0.000 1.075 230 I CA 0.913 62.243 61.300 0.050 0.000 1.332 230 I CB -0.160 37.852 38.000 0.018 0.000 1.033 230 I HN 0.016 nan 8.210 nan 0.000 0.410 231 L N -1.506 119.763 121.223 0.077 0.000 2.240 231 L HA -0.105 4.235 4.340 -0.000 0.000 0.211 231 L C 1.649 178.366 176.870 -0.255 0.000 1.106 231 L CA 1.658 56.470 54.840 -0.047 0.000 0.793 231 L CB -0.549 41.502 42.059 -0.012 0.000 0.927 231 L HN 0.292 nan 8.230 nan 0.000 0.446 232 W N -2.025 119.258 121.300 -0.027 0.000 2.993 232 W HA 0.285 4.945 4.660 -0.000 0.000 0.290 232 W C 1.390 178.027 176.519 0.197 0.000 1.203 232 W CA -0.210 57.161 57.345 0.043 0.000 1.582 232 W CB -0.210 29.321 29.460 0.119 0.000 1.033 232 W HN -0.247 nan 8.180 nan 0.000 0.594 233 S N 1.536 117.463 115.700 0.379 0.000 2.569 233 S HA 0.083 4.553 4.470 -0.000 0.000 0.274 233 S C -0.240 174.603 174.600 0.404 0.000 1.353 233 S CA 0.271 58.732 58.200 0.436 0.000 1.023 233 S CB 0.276 63.838 63.200 0.604 0.000 0.876 233 S HN -0.016 nan 8.310 nan 0.000 0.540 234 D N 1.251 121.736 120.400 0.141 0.000 2.661 234 D HA 0.434 5.073 4.640 -0.000 0.000 0.228 234 D C -2.663 173.270 176.300 -0.612 0.000 1.183 234 D CA -1.167 52.780 54.000 -0.089 0.000 0.844 234 D CB 1.961 42.798 40.800 0.062 0.000 1.555 234 D HN 0.174 nan 8.370 nan 0.000 0.453 235 P HA 0.165 nan 4.420 nan 0.000 0.276 235 P C -0.066 177.160 177.300 -0.124 0.000 1.252 235 P CA -0.690 61.944 63.100 -0.776 0.000 0.802 235 P CB 1.052 32.248 31.700 -0.841 0.000 1.035 236 L N 1.768 123.006 121.223 0.025 0.000 2.499 236 L HA 0.004 4.344 4.340 -0.000 0.000 0.281 236 L C 2.052 178.853 176.870 -0.116 0.000 1.234 236 L CA 0.710 55.458 54.840 -0.154 0.000 0.839 236 L CB -1.020 40.983 42.059 -0.092 0.000 1.104 236 L HN 0.599 nan 8.230 nan 0.000 0.500 237 E N 0.986 121.022 120.200 -0.272 0.000 2.401 237 E HA -0.147 4.203 4.350 -0.000 0.000 0.199 237 E C -0.190 176.388 176.600 -0.036 0.000 1.023 237 E CA 0.795 57.124 56.400 -0.119 0.000 0.859 237 E CB 0.266 29.874 29.700 -0.154 0.000 0.780 237 E HN 0.627 nan 8.360 nan 0.000 0.523 238 D N -1.001 119.381 120.400 -0.030 0.000 2.963 238 D HA -0.043 4.597 4.640 -0.000 0.000 0.361 238 D C 0.446 176.784 176.300 0.063 0.000 1.317 238 D CA -0.601 53.403 54.000 0.007 0.000 0.832 238 D CB -1.056 39.720 40.800 -0.040 0.000 1.135 238 D HN -0.054 nan 8.370 nan 0.000 0.476 239 F N 1.670 121.616 119.950 -0.007 0.000 2.649 239 F HA 0.084 4.611 4.527 -0.000 0.000 0.293 239 F C 1.337 177.152 175.800 0.025 0.000 1.210 239 F CA 1.137 59.162 58.000 0.041 0.000 1.486 239 F CB 0.234 39.299 39.000 0.107 0.000 1.121 239 F HN 0.340 nan 8.300 nan 0.000 0.616 240 G N -0.877 107.871 108.800 -0.086 0.000 2.917 240 G HA2 -0.038 3.921 3.960 -0.000 0.000 0.202 240 G HA3 -0.038 3.921 3.960 -0.000 0.000 0.202 240 G C -0.109 174.692 174.900 -0.165 0.000 1.302 240 G CA -0.444 44.509 45.100 -0.245 0.000 0.685 240 G HN 0.084 nan 8.290 nan 0.000 0.914 241 N N 2.553 121.195 118.700 -0.096 0.000 3.245 241 N HA 0.394 5.134 4.740 -0.000 0.000 0.296 241 N C -0.685 174.796 175.510 -0.049 0.000 1.254 241 N CA 0.118 53.127 53.050 -0.069 0.000 1.190 241 N CB 0.564 39.018 38.487 -0.056 0.000 1.460 241 N HN 0.489 nan 8.380 nan 0.000 0.538 242 E N -0.252 119.919 120.200 -0.047 0.000 2.250 242 E HA 0.331 4.681 4.350 -0.000 0.000 0.265 242 E C 0.627 177.216 176.600 -0.018 0.000 1.033 242 E CA -0.571 55.809 56.400 -0.032 0.000 0.888 242 E CB 1.781 31.462 29.700 -0.033 0.000 1.151 242 E HN 0.093 nan 8.360 nan 0.000 0.412 243 K N -0.004 120.389 120.400 -0.012 0.000 2.365 243 K HA 0.016 4.336 4.320 -0.000 0.000 0.195 243 K C 1.672 178.274 176.600 0.003 0.000 1.079 243 K CA 0.824 57.108 56.287 -0.004 0.000 0.979 243 K CB 0.487 32.984 32.500 -0.005 0.000 0.929 243 K HN 0.649 nan 8.250 nan 0.000 0.523 244 T N -1.166 113.391 114.554 0.005 0.000 2.735 244 T HA -0.116 4.234 4.350 -0.000 0.000 0.256 244 T C 1.047 175.759 174.700 0.021 0.000 1.042 244 T CA 0.436 62.544 62.100 0.014 0.000 1.147 244 T CB -0.064 68.816 68.868 0.020 0.000 0.865 244 T HN 0.206 nan 8.240 nan 0.000 0.421 245 Q N 0.409 120.224 119.800 0.025 0.000 2.498 245 Q HA -0.152 4.188 4.340 -0.000 0.000 0.270 245 Q C -0.562 175.485 176.000 0.079 0.000 0.936 245 Q CA 0.218 56.047 55.803 0.043 0.000 1.078 245 Q CB -1.534 27.229 28.738 0.041 0.000 1.322 245 Q HN 0.828 nan 8.270 nan 0.000 0.582 246 E N -0.661 119.580 120.200 0.069 0.000 2.344 246 E HA 0.037 4.387 4.350 -0.000 0.000 0.270 246 E C 0.730 177.411 176.600 0.136 0.000 1.021 246 E CA -0.273 56.182 56.400 0.092 0.000 0.887 246 E CB 0.603 30.355 29.700 0.087 0.000 0.997 246 E HN 0.236 nan 8.360 nan 0.000 0.429 247 H N 3.347 122.387 119.070 -0.051 0.000 2.261 247 H HA 0.063 4.619 4.556 -0.000 0.000 0.301 247 H C -0.223 174.843 175.328 -0.438 0.000 1.067 247 H CA 1.237 57.147 56.048 -0.229 0.000 1.297 247 H CB 0.096 29.784 29.762 -0.123 0.000 1.377 247 H HN 0.340 nan 8.280 nan 0.000 0.492 248 F N -0.482 119.573 119.950 0.174 0.000 2.546 248 F HA 0.479 5.006 4.527 -0.000 0.000 0.320 248 F C -0.010 175.892 175.800 0.170 0.000 1.076 248 F CA -0.669 57.392 58.000 0.102 0.000 0.928 248 F CB 2.177 41.050 39.000 -0.212 0.000 1.189 248 F HN -0.162 nan 8.300 nan 0.000 0.465 249 T N -1.118 113.733 114.554 0.496 0.000 2.900 249 T HA 0.328 4.677 4.350 -0.000 0.000 0.303 249 T C -1.044 173.978 174.700 0.537 0.000 1.142 249 T CA -0.931 61.447 62.100 0.463 0.000 1.007 249 T CB 1.430 70.523 68.868 0.375 0.000 1.156 249 T HN 0.426 nan 8.240 nan 0.000 0.490 250 H N 2.214 121.513 119.070 0.382 0.000 2.815 250 H HA 0.140 4.695 4.556 -0.000 0.000 0.350 250 H C 0.309 175.679 175.328 0.069 0.000 1.080 250 H CA 0.228 56.326 56.048 0.083 0.000 1.433 250 H CB 0.702 30.440 29.762 -0.039 0.000 1.432 250 H HN 0.468 nan 8.280 nan 0.000 0.592 251 N N 2.470 121.076 118.700 -0.157 0.000 2.508 251 N HA -0.054 4.686 4.740 -0.000 0.000 0.253 251 N C 0.941 176.323 175.510 -0.214 0.000 1.145 251 N CA -0.005 52.654 53.050 -0.652 0.000 0.973 251 N CB 0.427 38.468 38.487 -0.743 0.000 1.305 251 N HN 0.640 nan 8.380 nan 0.000 0.506 252 T N -0.715 113.895 114.554 0.093 0.000 2.929 252 T HA -0.085 4.265 4.350 -0.000 0.000 0.271 252 T C 1.855 176.620 174.700 0.109 0.000 1.085 252 T CA 0.782 62.964 62.100 0.135 0.000 1.125 252 T CB -0.029 68.969 68.868 0.216 0.000 0.874 252 T HN 0.130 nan 8.240 nan 0.000 0.494 253 V N 1.686 121.670 119.914 0.118 0.000 2.283 253 V HA -0.046 4.074 4.120 -0.000 0.000 0.243 253 V C 2.927 179.080 176.094 0.100 0.000 1.039 253 V CA 1.277 63.658 62.300 0.136 0.000 1.016 253 V CB -0.472 31.466 31.823 0.191 0.000 0.650 253 V HN 0.341 nan 8.190 nan 0.000 0.449 254 R N 0.465 120.997 120.500 0.055 0.000 2.235 254 R HA 0.050 4.390 4.340 -0.000 0.000 0.213 254 R C 1.867 178.185 176.300 0.030 0.000 1.059 254 R CA 0.850 57.037 56.100 0.145 0.000 0.997 254 R CB -1.065 29.372 30.300 0.229 0.000 0.884 254 R HN 0.683 nan 8.270 nan 0.000 0.462 255 G N 1.117 109.901 108.800 -0.028 0.000 2.153 255 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.252 255 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.252 255 G C 0.331 175.135 174.900 -0.160 0.000 0.994 255 G CA 0.547 45.601 45.100 -0.077 0.000 0.698 255 G HN 0.637 nan 8.290 nan 0.000 0.521 256 C N -3.885 115.310 119.300 -0.176 0.000 3.176 256 C HA 0.900 5.360 4.460 -0.000 0.000 0.343 256 C C 0.665 175.536 174.990 -0.200 0.000 1.332 256 C CA 0.253 59.130 59.018 -0.235 0.000 1.200 256 C CB 1.157 28.638 27.740 -0.431 0.000 1.440 256 C HN 2.382 nan 8.230 nan 0.000 0.458 257 S N -0.322 115.239 115.700 -0.232 0.000 3.368 257 S HA -0.106 4.364 4.470 -0.000 0.000 0.632 257 S C -0.623 173.618 174.600 -0.597 0.000 2.690 257 S CA 1.249 59.297 58.200 -0.254 0.000 3.124 257 S CB -1.362 61.895 63.200 0.095 0.000 0.317 257 S HN 1.830 nan 8.310 nan 0.000 1.617 258 Y N -1.134 119.173 120.300 0.012 0.000 2.790 258 Y HA 0.792 5.342 4.550 -0.000 0.000 0.323 258 Y C -0.361 175.525 175.900 -0.024 0.000 1.230 258 Y CA -0.735 57.369 58.100 0.007 0.000 1.121 258 Y CB 0.676 39.245 38.460 0.183 0.000 1.328 258 Y HN 0.512 nan 8.280 nan 0.000 0.514 259 F N 0.945 121.115 119.950 0.366 0.000 2.518 259 F HA 0.417 4.944 4.527 -0.000 0.000 0.323 259 F C -0.963 174.923 175.800 0.142 0.000 1.129 259 F CA -1.489 56.584 58.000 0.121 0.000 0.920 259 F CB 1.041 40.097 39.000 0.094 0.000 1.160 259 F HN 0.292 nan 8.300 nan 0.000 0.440 260 Y N 0.077 120.563 120.300 0.310 0.000 2.446 260 Y HA 0.777 5.327 4.550 -0.000 0.000 0.338 260 Y C -0.053 175.895 175.900 0.080 0.000 1.055 260 Y CA -1.692 56.395 58.100 -0.022 0.000 1.101 260 Y CB 0.742 39.125 38.460 -0.129 0.000 1.221 260 Y HN 0.509 nan 8.280 nan 0.000 0.460 261 S N 1.457 117.169 115.700 0.020 0.000 2.693 261 S HA 0.163 4.632 4.470 -0.000 0.000 0.276 261 S C 0.532 174.929 174.600 -0.337 0.000 1.192 261 S CA -0.433 57.705 58.200 -0.104 0.000 0.994 261 S CB 0.663 63.768 63.200 -0.158 0.000 1.012 261 S HN 0.876 nan 8.310 nan 0.000 0.550 262 Y N 2.292 121.977 120.300 -1.025 0.000 2.200 262 Y HA 0.109 4.659 4.550 -0.000 0.000 0.290 262 Y C -1.162 174.475 175.900 -0.438 0.000 1.137 262 Y CA 1.416 58.809 58.100 -1.178 0.000 1.163 262 Y CB -1.521 36.323 38.460 -1.026 0.000 0.988 262 Y HN 0.504 nan 8.280 nan 0.000 0.518 263 P HA -0.137 nan 4.420 nan 0.000 0.219 263 P C 1.392 178.391 177.300 -0.502 0.000 1.150 263 P CA 2.181 65.043 63.100 -0.397 0.000 0.814 263 P CB -0.258 31.373 31.700 -0.115 0.000 0.787 264 A N 0.217 122.620 122.820 -0.696 0.000 1.858 264 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 264 A C 2.499 179.857 177.584 -0.376 0.000 1.190 264 A CA 2.012 53.490 52.037 -0.931 0.000 0.617 264 A CB -1.686 16.774 19.000 -0.900 0.000 0.827 264 A HN 0.036 nan 8.150 nan 0.000 0.443 265 V N -1.143 118.667 119.914 -0.173 0.000 2.343 265 V HA -0.306 3.814 4.120 -0.000 0.000 0.247 265 V C 2.627 178.714 176.094 -0.012 0.000 1.051 265 V CA 2.027 64.335 62.300 0.012 0.000 1.036 265 V CB -0.950 31.060 31.823 0.312 0.000 0.654 265 V HN 0.713 nan 8.190 nan 0.000 0.451 266 C N -0.616 118.566 119.300 -0.196 0.000 2.419 266 C HA -0.100 4.360 4.460 -0.000 0.000 0.283 266 C C 2.735 177.668 174.990 -0.095 0.000 1.373 266 C CA 0.830 59.725 59.018 -0.205 0.000 1.781 266 C CB -0.890 26.565 27.740 -0.474 0.000 1.886 266 C HN 0.572 nan 8.230 nan 0.000 0.520 267 E N -0.468 119.680 120.200 -0.087 0.000 2.076 267 E HA -0.115 4.235 4.350 -0.000 0.000 0.190 267 E C 1.835 178.477 176.600 0.070 0.000 0.979 267 E CA 0.877 57.284 56.400 0.012 0.000 0.807 267 E CB -0.341 29.398 29.700 0.065 0.000 0.761 267 E HN 0.688 nan 8.360 nan 0.000 0.454 268 F N 1.607 121.532 119.950 -0.041 0.000 2.102 268 F HA -0.183 4.344 4.527 -0.000 0.000 0.298 268 F C 2.191 178.006 175.800 0.026 0.000 1.105 268 F CA 1.243 59.240 58.000 -0.004 0.000 1.239 268 F CB -0.294 38.685 39.000 -0.034 0.000 0.991 268 F HN -0.059 nan 8.300 nan 0.000 0.474 269 L N -0.027 121.292 121.223 0.160 0.000 1.970 269 L HA -0.303 4.037 4.340 -0.000 0.000 0.212 269 L C 2.575 179.424 176.870 -0.034 0.000 1.071 269 L CA 1.939 56.822 54.840 0.071 0.000 0.751 269 L CB -1.107 41.010 42.059 0.096 0.000 0.889 269 L HN 0.222 nan 8.230 nan 0.000 0.432 270 Q N -1.219 118.570 119.800 -0.018 0.000 2.061 270 Q HA -0.264 4.076 4.340 -0.000 0.000 0.204 270 Q C 2.297 178.264 176.000 -0.056 0.000 0.984 270 Q CA 1.657 57.440 55.803 -0.033 0.000 0.846 270 Q CB -0.331 28.399 28.738 -0.015 0.000 0.902 270 Q HN 0.504 nan 8.270 nan 0.000 0.421 271 H N 0.611 119.595 119.070 -0.143 0.000 2.387 271 H HA -0.030 4.526 4.556 -0.000 0.000 0.299 271 H C 0.926 176.116 175.328 -0.229 0.000 1.090 271 H CA 1.106 57.052 56.048 -0.170 0.000 1.332 271 H CB 0.388 30.045 29.762 -0.174 0.000 1.386 271 H HN 0.250 nan 8.280 nan 0.000 0.516 272 N N 0.595 119.170 118.700 -0.207 0.000 2.230 272 N HA -0.068 4.672 4.740 -0.000 0.000 0.202 272 N C -0.181 175.221 175.510 -0.179 0.000 1.119 272 N CA -0.034 52.866 53.050 -0.251 0.000 0.851 272 N CB 0.112 38.312 38.487 -0.478 0.000 0.990 272 N HN 0.411 nan 8.380 nan 0.000 0.497 273 N N 0.928 119.538 118.700 -0.151 0.000 2.725 273 N HA -0.179 4.561 4.740 -0.000 0.000 0.251 273 N C -1.136 174.308 175.510 -0.110 0.000 1.031 273 N CA 0.104 53.084 53.050 -0.116 0.000 0.720 273 N CB -0.904 37.516 38.487 -0.112 0.000 0.930 273 N HN 0.242 nan 8.380 nan 0.000 0.543 274 L N 0.685 121.850 121.223 -0.097 0.000 2.334 274 L HA 0.377 4.717 4.340 -0.000 0.000 0.270 274 L C 1.612 178.404 176.870 -0.131 0.000 1.018 274 L CA -0.801 53.980 54.840 -0.099 0.000 0.811 274 L CB 1.493 43.556 42.059 0.007 0.000 1.271 274 L HN 0.112 nan 8.230 nan 0.000 0.443 275 L N -0.123 120.926 121.223 -0.290 0.000 2.049 275 L HA 0.105 4.445 4.340 -0.000 0.000 0.203 275 L C 0.783 177.605 176.870 -0.079 0.000 1.074 275 L CA 1.042 55.684 54.840 -0.331 0.000 0.749 275 L CB 0.607 42.170 42.059 -0.826 0.000 0.907 275 L HN 0.758 nan 8.230 nan 0.000 0.439 276 S N -1.645 114.028 115.700 -0.044 0.000 2.611 276 S HA 0.425 4.895 4.470 -0.000 0.000 0.268 276 S C -1.273 173.499 174.600 0.286 0.000 1.156 276 S CA -0.791 57.569 58.200 0.267 0.000 0.817 276 S CB 1.325 64.882 63.200 0.594 0.000 1.122 276 S HN 0.005 nan 8.310 nan 0.000 0.466 277 I N 3.601 124.305 120.570 0.224 0.000 2.328 277 I HA 0.379 4.549 4.170 -0.000 0.000 0.287 277 I C -0.509 175.677 176.117 0.116 0.000 1.012 277 I CA -0.379 60.993 61.300 0.119 0.000 1.195 277 I CB 0.678 38.656 38.000 -0.037 0.000 1.350 277 I HN 0.548 nan 8.210 nan 0.000 0.464 278 L N 7.874 129.168 121.223 0.120 0.000 2.292 278 L HA 0.583 4.923 4.340 -0.000 0.000 0.284 278 L C 0.313 177.190 176.870 0.011 0.000 1.065 278 L CA -0.576 54.296 54.840 0.052 0.000 0.806 278 L CB 0.851 42.896 42.059 -0.023 0.000 1.175 278 L HN 0.691 nan 8.230 nan 0.000 0.431 279 R N 2.606 123.108 120.500 0.004 0.000 2.844 279 R HA 0.956 5.296 4.340 -0.000 0.000 0.264 279 R C -1.002 175.287 176.300 -0.018 0.000 1.077 279 R CA -0.529 55.559 56.100 -0.021 0.000 0.953 279 R CB 1.454 31.736 30.300 -0.031 0.000 1.272 279 R HN 0.473 nan 8.270 nan 0.000 0.447 280 A N -1.134 121.637 122.820 -0.082 0.000 3.389 280 A HA 0.513 4.833 4.320 -0.000 0.000 0.179 280 A C 0.062 177.596 177.584 -0.084 0.000 0.848 280 A CA 0.637 52.646 52.037 -0.046 0.000 1.090 280 A CB -0.510 18.451 19.000 -0.066 0.000 1.808 280 A HN 1.131 nan 8.150 nan 0.000 0.715 281 H N -0.514 118.332 119.070 -0.374 0.000 4.339 281 H HA -0.135 4.421 4.556 -0.000 0.000 0.128 281 H C -0.311 174.987 175.328 -0.050 0.000 0.719 281 H CA 1.888 57.725 56.048 -0.352 0.000 1.252 281 H CB -0.999 28.443 29.762 -0.532 0.000 0.741 281 H HN 0.610 nan 8.280 nan 0.000 0.528 282 E N 0.129 120.297 120.200 -0.053 0.000 2.244 282 E HA 0.650 5.000 4.350 -0.000 0.000 0.260 282 E C -0.222 175.995 176.600 -0.638 0.000 0.884 282 E CA -0.217 56.026 56.400 -0.262 0.000 0.777 282 E CB 1.665 31.259 29.700 -0.177 0.000 1.197 282 E HN 0.484 nan 8.360 nan 0.000 0.416 283 A N 3.828 125.956 122.820 -1.153 0.000 2.565 283 A HA 0.011 4.331 4.320 -0.000 0.000 0.237 283 A C -0.066 177.008 177.584 -0.850 0.000 1.053 283 A CA 0.363 51.277 52.037 -1.871 0.000 0.755 283 A CB 0.284 18.547 19.000 -1.229 0.000 0.980 283 A HN 0.453 nan 8.150 nan 0.000 0.506 284 Q N 1.246 120.628 119.800 -0.696 0.000 2.347 284 Q HA 0.188 4.527 4.340 -0.000 0.000 0.271 284 Q C -0.193 175.704 176.000 -0.171 0.000 1.064 284 Q CA -0.516 55.109 55.803 -0.296 0.000 0.800 284 Q CB 1.889 30.507 28.738 -0.200 0.000 1.304 284 Q HN 0.900 nan 8.270 nan 0.000 0.438 285 D N 1.778 122.107 120.400 -0.119 0.000 2.264 285 D HA -0.039 4.601 4.640 -0.000 0.000 0.208 285 D C 0.944 177.212 176.300 -0.053 0.000 0.966 285 D CA 1.229 55.196 54.000 -0.055 0.000 0.864 285 D CB 0.547 41.318 40.800 -0.048 0.000 0.933 285 D HN 0.609 nan 8.370 nan 0.000 0.499 286 A N -1.210 121.548 122.820 -0.104 0.000 2.430 286 A HA 0.549 4.869 4.320 -0.000 0.000 0.243 286 A C 1.710 179.345 177.584 0.085 0.000 1.254 286 A CA 0.562 52.564 52.037 -0.058 0.000 0.914 286 A CB -0.161 18.702 19.000 -0.228 0.000 0.998 286 A HN 0.282 nan 8.150 nan 0.000 0.515 287 G N -1.345 107.485 108.800 0.049 0.000 2.184 287 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.264 287 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.264 287 G C 0.046 175.104 174.900 0.264 0.000 0.975 287 G CA 1.158 46.344 45.100 0.142 0.000 0.642 287 G HN 1.987 nan 8.290 nan 0.000 0.536 288 Y N -3.313 116.976 120.300 -0.018 0.000 2.741 288 Y HA 0.824 5.374 4.550 -0.000 0.000 0.339 288 Y C -0.916 174.940 175.900 -0.074 0.000 1.226 288 Y CA -1.992 56.096 58.100 -0.021 0.000 1.072 288 Y CB 0.765 39.212 38.460 -0.022 0.000 1.331 288 Y HN 0.232 nan 8.280 nan 0.000 0.453 289 R N 2.794 123.226 120.500 -0.113 0.000 2.522 289 R HA 0.413 4.753 4.340 -0.000 0.000 0.273 289 R C -1.849 174.312 176.300 -0.232 0.000 1.133 289 R CA -0.764 55.116 56.100 -0.366 0.000 0.969 289 R CB 1.935 31.959 30.300 -0.460 0.000 1.235 289 R HN 0.886 nan 8.270 nan 0.000 0.433 290 M N 4.509 123.955 119.600 -0.256 0.000 2.157 290 M HA 0.316 4.796 4.480 -0.000 0.000 0.354 290 M C -0.649 175.483 176.300 -0.280 0.000 1.170 290 M CA -0.468 54.759 55.300 -0.121 0.000 1.060 290 M CB 0.628 33.194 32.600 -0.057 0.000 1.615 290 M HN 0.383 nan 8.290 nan 0.000 0.460 291 Y N 0.602 120.884 120.300 -0.029 0.000 2.480 291 Y HA 0.487 5.036 4.550 -0.000 0.000 0.323 291 Y C 0.772 176.725 175.900 0.088 0.000 1.267 291 Y CA -0.821 57.299 58.100 0.033 0.000 1.336 291 Y CB 0.411 38.874 38.460 0.006 0.000 1.361 291 Y HN 0.558 nan 8.280 nan 0.000 0.518 292 R N 2.281 122.953 120.500 0.287 0.000 2.478 292 R HA -0.092 4.248 4.340 -0.000 0.000 0.281 292 R C -0.549 175.862 176.300 0.184 0.000 0.939 292 R CA 0.201 56.349 56.100 0.079 0.000 1.120 292 R CB -0.055 30.099 30.300 -0.243 0.000 0.885 292 R HN 0.708 nan 8.270 nan 0.000 0.415 293 K N 2.527 122.992 120.400 0.108 0.000 2.090 293 K HA 0.276 4.595 4.320 -0.000 0.000 0.250 293 K C -0.323 176.433 176.600 0.260 0.000 1.004 293 K CA -0.716 55.673 56.287 0.169 0.000 0.919 293 K CB 1.223 33.777 32.500 0.089 0.000 1.045 293 K HN 0.476 nan 8.250 nan 0.000 0.471 294 S N 0.374 116.228 115.700 0.257 0.000 2.549 294 S HA -0.048 4.422 4.470 -0.000 0.000 0.279 294 S C 0.857 175.561 174.600 0.173 0.000 1.321 294 S CA -0.451 57.888 58.200 0.232 0.000 1.054 294 S CB 0.870 64.178 63.200 0.179 0.000 0.899 294 S HN 0.692 nan 8.310 nan 0.000 0.497 295 Q N 2.767 122.663 119.800 0.159 0.000 2.369 295 Q HA -0.049 4.291 4.340 -0.000 0.000 0.206 295 Q C 1.534 177.583 176.000 0.081 0.000 0.963 295 Q CA 1.373 57.242 55.803 0.111 0.000 0.894 295 Q CB -0.325 28.475 28.738 0.103 0.000 0.965 295 Q HN 0.862 nan 8.270 nan 0.000 0.475 296 T N -0.063 114.538 114.554 0.078 0.000 2.755 296 T HA -0.027 4.323 4.350 -0.000 0.000 0.251 296 T C 1.028 175.768 174.700 0.066 0.000 1.044 296 T CA 1.260 63.394 62.100 0.057 0.000 1.154 296 T CB -0.239 68.653 68.868 0.040 0.000 0.866 296 T HN 0.435 nan 8.240 nan 0.000 0.416 297 T N 0.092 114.698 114.554 0.087 0.000 2.882 297 T HA 0.549 4.899 4.350 -0.000 0.000 0.287 297 T C 0.977 175.770 174.700 0.154 0.000 0.992 297 T CA -0.567 61.598 62.100 0.109 0.000 1.076 297 T CB 1.552 70.486 68.868 0.110 0.000 0.961 297 T HN 0.216 nan 8.240 nan 0.000 0.490 298 G N 1.879 110.773 108.800 0.158 0.000 3.374 298 G HA2 0.297 4.257 3.960 -0.000 0.000 0.252 298 G HA3 0.297 4.257 3.960 -0.000 0.000 0.252 298 G C -0.480 174.548 174.900 0.213 0.000 1.326 298 G CA -0.450 44.743 45.100 0.154 0.000 1.133 298 G HN 0.683 nan 8.290 nan 0.000 0.528 299 F N 0.364 120.365 119.950 0.086 0.000 2.480 299 F HA 0.542 5.069 4.527 -0.000 0.000 0.329 299 F C -2.283 173.599 175.800 0.137 0.000 1.091 299 F CA -2.880 55.183 58.000 0.106 0.000 0.972 299 F CB 2.388 41.444 39.000 0.093 0.000 1.150 299 F HN -0.133 nan 8.300 nan 0.000 0.467 300 P HA 0.025 nan 4.420 nan 0.000 0.264 300 P C 0.121 177.511 177.300 0.151 0.000 1.193 300 P CA 0.383 63.414 63.100 -0.115 0.000 0.763 300 P CB 0.767 32.315 31.700 -0.252 0.000 0.810 301 S N 3.480 119.359 115.700 0.299 0.000 2.423 301 S HA -0.041 4.429 4.470 -0.000 0.000 0.231 301 S C 0.530 175.312 174.600 0.304 0.000 1.014 301 S CA 0.663 59.075 58.200 0.354 0.000 0.965 301 S CB -0.436 63.048 63.200 0.473 0.000 0.785 301 S HN 0.376 nan 8.310 nan 0.000 0.495 302 L N -0.020 121.359 121.223 0.259 0.000 2.434 302 L HA 0.714 5.054 4.340 -0.000 0.000 0.260 302 L C -1.788 175.213 176.870 0.218 0.000 0.983 302 L CA -0.840 54.052 54.840 0.086 0.000 0.820 302 L CB 2.108 43.940 42.059 -0.378 0.000 1.361 302 L HN 0.215 nan 8.230 nan 0.000 0.410 303 I N 2.364 123.030 120.570 0.160 0.000 2.607 303 I HA 0.387 4.556 4.170 -0.000 0.000 0.290 303 I C -0.873 175.352 176.117 0.181 0.000 1.129 303 I CA -0.460 60.973 61.300 0.222 0.000 1.042 303 I CB 2.438 40.517 38.000 0.132 0.000 1.242 303 I HN 0.486 nan 8.210 nan 0.000 0.421 304 T N 6.286 121.004 114.554 0.272 0.000 2.779 304 T HA 0.562 4.912 4.350 -0.000 0.000 0.280 304 T C -0.732 174.068 174.700 0.166 0.000 0.987 304 T CA -0.277 61.935 62.100 0.186 0.000 0.966 304 T CB 1.485 70.489 68.868 0.226 0.000 0.933 304 T HN 0.301 nan 8.240 nan 0.000 0.442 305 I N 3.745 124.390 120.570 0.126 0.000 2.436 305 I HA 0.683 4.853 4.170 -0.000 0.000 0.289 305 I C -1.791 174.416 176.117 0.149 0.000 1.010 305 I CA -1.299 60.075 61.300 0.124 0.000 1.098 305 I CB 0.947 38.970 38.000 0.039 0.000 1.266 305 I HN 0.560 nan 8.210 nan 0.000 0.434 306 F N 5.863 125.792 119.950 -0.036 0.000 2.499 306 F HA 0.452 4.978 4.527 -0.000 0.000 0.333 306 F C 0.301 176.037 175.800 -0.106 0.000 1.138 306 F CA -0.195 57.744 58.000 -0.101 0.000 0.945 306 F CB 1.966 40.875 39.000 -0.152 0.000 1.181 306 F HN 0.476 nan 8.300 nan 0.000 0.435 307 S N 4.051 119.498 115.700 -0.421 0.000 2.583 307 S HA 0.425 4.895 4.470 -0.000 0.000 0.239 307 S C 0.255 174.697 174.600 -0.264 0.000 0.966 307 S CA -0.001 58.064 58.200 -0.225 0.000 0.973 307 S CB 0.154 63.339 63.200 -0.025 0.000 0.794 307 S HN 0.615 nan 8.310 nan 0.000 0.463 308 A N 3.762 126.286 122.820 -0.492 0.000 2.399 308 A HA 0.593 4.913 4.320 -0.000 0.000 0.327 308 A C -2.714 174.848 177.584 -0.037 0.000 1.367 308 A CA -1.860 50.038 52.037 -0.231 0.000 0.842 308 A CB 0.552 19.367 19.000 -0.308 0.000 1.142 308 A HN 0.122 nan 8.150 nan 0.000 0.495 309 P HA 0.020 nan 4.420 nan 0.000 0.274 309 P C 0.135 177.507 177.300 0.120 0.000 1.231 309 P CA -0.152 62.926 63.100 -0.037 0.000 0.790 309 P CB 0.492 32.106 31.700 -0.142 0.000 0.951 310 N N 0.906 119.690 118.700 0.140 0.000 2.699 310 N HA -0.257 4.483 4.740 -0.000 0.000 0.256 310 N C -0.682 174.985 175.510 0.263 0.000 0.993 310 N CA -0.036 53.127 53.050 0.189 0.000 0.759 310 N CB -0.824 37.751 38.487 0.147 0.000 0.906 310 N HN 0.416 nan 8.380 nan 0.000 0.541 311 Y N 1.596 121.961 120.300 0.109 0.000 2.895 311 Y HA -0.081 4.469 4.550 -0.000 0.000 0.334 311 Y C 1.519 177.452 175.900 0.056 0.000 1.261 311 Y CA 1.342 59.454 58.100 0.020 0.000 1.560 311 Y CB 0.103 38.418 38.460 -0.242 0.000 1.253 311 Y HN 0.337 nan 8.280 nan 0.000 0.582 312 L N 4.789 125.909 121.223 -0.172 0.000 4.367 312 L HA -0.451 3.888 4.340 -0.000 0.000 0.424 312 L C 0.563 177.434 176.870 0.002 0.000 1.152 312 L CA 0.951 55.659 54.840 -0.221 0.000 0.974 312 L CB -1.235 40.595 42.059 -0.382 0.000 2.012 312 L HN 0.787 nan 8.230 nan 0.000 0.922 313 D N -2.838 117.629 120.400 0.112 0.000 3.006 313 D HA -0.200 4.440 4.640 -0.000 0.000 0.208 313 D C 1.072 177.438 176.300 0.110 0.000 1.116 313 D CA 1.240 55.321 54.000 0.136 0.000 0.998 313 D CB -1.028 39.852 40.800 0.134 0.000 1.124 313 D HN 0.412 nan 8.370 nan 0.000 0.413 314 V N -0.890 119.112 119.914 0.147 0.000 2.602 314 V HA 0.015 4.135 4.120 -0.000 0.000 0.235 314 V C 0.829 177.027 176.094 0.174 0.000 1.087 314 V CA 0.382 62.761 62.300 0.132 0.000 1.117 314 V CB -0.220 31.676 31.823 0.122 0.000 0.820 314 V HN 0.037 nan 8.190 nan 0.000 0.490 315 Y N 1.804 122.131 120.300 0.045 0.000 2.712 315 Y HA 0.052 4.602 4.550 -0.000 0.000 0.333 315 Y C 1.090 177.029 175.900 0.065 0.000 1.225 315 Y CA 0.307 58.447 58.100 0.067 0.000 1.499 315 Y CB -0.266 38.280 38.460 0.143 0.000 1.288 315 Y HN 0.156 nan 8.280 nan 0.000 0.575 316 N N 3.221 122.020 118.700 0.165 0.000 2.451 316 N HA -0.038 4.702 4.740 -0.000 0.000 0.264 316 N C -0.630 174.937 175.510 0.095 0.000 1.167 316 N CA -0.343 52.771 53.050 0.107 0.000 0.898 316 N CB -0.457 38.060 38.487 0.050 0.000 1.176 316 N HN 0.664 nan 8.380 nan 0.000 0.507 317 N N -0.433 118.348 118.700 0.136 0.000 2.467 317 N HA 0.041 4.781 4.740 -0.000 0.000 0.262 317 N C -0.374 175.158 175.510 0.037 0.000 1.234 317 N CA 0.170 53.269 53.050 0.082 0.000 0.952 317 N CB 1.249 39.793 38.487 0.094 0.000 1.158 317 N HN 0.006 nan 8.380 nan 0.000 0.463 318 K N -0.268 120.131 120.400 -0.002 0.000 2.090 318 K HA 0.597 4.917 4.320 -0.000 0.000 0.249 318 K C -0.376 176.142 176.600 -0.137 0.000 0.995 318 K CA -0.808 55.439 56.287 -0.065 0.000 0.914 318 K CB 1.364 33.849 32.500 -0.025 0.000 1.057 318 K HN 0.762 nan 8.250 nan 0.000 0.462 319 A N 0.510 123.081 122.820 -0.415 0.000 2.309 319 A HA 0.902 5.222 4.320 -0.000 0.000 0.317 319 A C -1.318 175.970 177.584 -0.492 0.000 1.134 319 A CA -0.494 51.195 52.037 -0.580 0.000 0.866 319 A CB 1.569 19.862 19.000 -1.177 0.000 1.329 319 A HN 0.704 nan 8.150 nan 0.000 0.477 320 A N -1.151 121.555 122.820 -0.191 0.000 2.610 320 A HA 0.710 5.029 4.320 -0.000 0.000 0.291 320 A C -1.079 176.611 177.584 0.176 0.000 1.086 320 A CA 0.129 52.224 52.037 0.098 0.000 0.677 320 A CB 0.898 19.939 19.000 0.068 0.000 1.278 320 A HN 2.236 nan 8.150 nan 0.000 0.414 321 V N -1.133 118.857 119.914 0.127 0.000 2.760 321 V HA 0.742 4.862 4.120 -0.000 0.000 0.309 321 V C -0.945 175.119 176.094 -0.051 0.000 1.077 321 V CA -1.005 61.308 62.300 0.022 0.000 0.910 321 V CB 1.534 33.356 31.823 -0.002 0.000 1.008 321 V HN 0.793 nan 8.190 nan 0.000 0.424 322 L N 3.799 124.973 121.223 -0.082 0.000 2.305 322 L HA 0.553 4.893 4.340 -0.000 0.000 0.281 322 L C 0.286 177.102 176.870 -0.090 0.000 1.085 322 L CA 0.316 55.098 54.840 -0.097 0.000 0.813 322 L CB 1.107 43.098 42.059 -0.113 0.000 1.157 322 L HN 0.803 nan 8.230 nan 0.000 0.436 323 K N 4.938 125.301 120.400 -0.062 0.000 2.507 323 K HA 0.221 4.541 4.320 -0.000 0.000 0.253 323 K C -1.423 175.198 176.600 0.035 0.000 0.969 323 K CA -0.685 55.572 56.287 -0.051 0.000 0.908 323 K CB 1.743 34.201 32.500 -0.071 0.000 1.127 323 K HN 0.281 nan 8.250 nan 0.000 0.437 324 Y N 2.697 122.924 120.300 -0.123 0.000 2.335 324 Y HA 0.299 4.849 4.550 -0.000 0.000 0.339 324 Y C -0.500 175.360 175.900 -0.067 0.000 0.987 324 Y CA -0.530 57.512 58.100 -0.097 0.000 1.140 324 Y CB 0.922 39.293 38.460 -0.149 0.000 1.173 324 Y HN 0.568 nan 8.280 nan 0.000 0.486 325 E N 3.850 123.807 120.200 -0.404 0.000 2.375 325 E HA 0.199 4.549 4.350 -0.000 0.000 0.280 325 E C -0.948 175.441 176.600 -0.352 0.000 0.972 325 E CA -0.738 55.434 56.400 -0.379 0.000 0.782 325 E CB 1.189 30.780 29.700 -0.182 0.000 1.229 325 E HN 0.726 nan 8.360 nan 0.000 0.439 326 N N 2.615 121.138 118.700 -0.296 0.000 2.702 326 N HA -0.254 4.486 4.740 -0.000 0.000 0.255 326 N C -0.378 175.033 175.510 -0.165 0.000 0.983 326 N CA 1.426 54.364 53.050 -0.186 0.000 0.768 326 N CB -1.110 37.312 38.487 -0.108 0.000 0.918 326 N HN 0.759 nan 8.380 nan 0.000 0.540 327 N N -1.932 116.611 118.700 -0.261 0.000 2.747 327 N HA -0.189 4.551 4.740 -0.000 0.000 0.249 327 N C -1.568 173.991 175.510 0.083 0.000 1.107 327 N CA 1.124 54.139 53.050 -0.057 0.000 0.707 327 N CB -0.587 37.905 38.487 0.008 0.000 1.054 327 N HN 0.289 nan 8.380 nan 0.000 0.555 328 V N 1.036 120.975 119.914 0.041 0.000 2.623 328 V HA 0.453 4.573 4.120 -0.000 0.000 0.304 328 V C -0.077 176.186 176.094 0.282 0.000 1.054 328 V CA -0.661 61.732 62.300 0.155 0.000 0.882 328 V CB 1.736 33.591 31.823 0.052 0.000 1.002 328 V HN 0.268 nan 8.190 nan 0.000 0.424 329 M N 5.240 125.043 119.600 0.338 0.000 2.152 329 M HA 0.493 4.973 4.480 -0.000 0.000 0.354 329 M C -0.532 175.837 176.300 0.115 0.000 1.173 329 M CA 0.102 55.569 55.300 0.278 0.000 1.110 329 M CB 0.185 32.967 32.600 0.302 0.000 1.366 329 M HN 0.650 nan 8.290 nan 0.000 0.415 330 N N 3.958 122.690 118.700 0.054 0.000 2.419 330 N HA 0.522 5.262 4.740 -0.000 0.000 0.277 330 N C -1.610 173.856 175.510 -0.074 0.000 1.006 330 N CA -0.408 52.635 53.050 -0.013 0.000 0.923 330 N CB 0.855 39.336 38.487 -0.011 0.000 1.140 330 N HN 0.626 nan 8.380 nan 0.000 0.488 331 I N 3.276 123.756 120.570 -0.149 0.000 2.321 331 I HA 0.335 4.505 4.170 -0.000 0.000 0.291 331 I C 0.054 176.068 176.117 -0.171 0.000 0.998 331 I CA -0.423 60.729 61.300 -0.246 0.000 1.227 331 I CB 0.831 38.475 38.000 -0.593 0.000 1.368 331 I HN 0.306 nan 8.210 nan 0.000 0.466 332 R N 6.159 126.605 120.500 -0.090 0.000 2.294 332 R HA 0.455 4.794 4.340 -0.000 0.000 0.319 332 R C -0.568 175.777 176.300 0.075 0.000 0.984 332 R CA -0.650 55.445 56.100 -0.009 0.000 0.861 332 R CB 1.339 31.644 30.300 0.007 0.000 1.104 332 R HN 0.594 nan 8.270 nan 0.000 0.451 333 Q N 2.453 122.308 119.800 0.092 0.000 2.214 333 Q HA 0.532 4.872 4.340 -0.000 0.000 0.251 333 Q C -0.638 175.525 176.000 0.272 0.000 0.936 333 Q CA -0.577 55.312 55.803 0.144 0.000 0.894 333 Q CB 1.667 30.458 28.738 0.089 0.000 1.252 333 Q HN 0.474 nan 8.270 nan 0.000 0.448 334 F N -1.308 118.658 119.950 0.027 0.000 2.631 334 F HA 0.595 5.122 4.527 -0.000 0.000 0.308 334 F C -1.036 174.790 175.800 0.043 0.000 1.097 334 F CA -1.244 56.772 58.000 0.027 0.000 0.952 334 F CB 1.140 40.147 39.000 0.013 0.000 1.307 334 F HN 0.272 nan 8.300 nan 0.000 0.450 335 N N 0.464 119.285 118.700 0.202 0.000 2.502 335 N HA 0.412 5.152 4.740 -0.000 0.000 0.280 335 N C -0.623 174.980 175.510 0.154 0.000 1.223 335 N CA -0.411 52.697 53.050 0.097 0.000 0.966 335 N CB 1.462 40.001 38.487 0.086 0.000 1.203 335 N HN 1.070 nan 8.380 nan 0.000 0.565 336 C N -0.301 119.061 119.300 0.105 0.000 2.727 336 C HA 0.574 5.034 4.460 -0.000 0.000 0.401 336 C C 0.367 175.438 174.990 0.134 0.000 1.294 336 C CA -0.498 58.599 59.018 0.133 0.000 2.134 336 C CB -0.615 27.190 27.740 0.108 0.000 2.724 336 C HN 0.534 nan 8.230 nan 0.000 0.677 337 S N 2.851 118.642 115.700 0.152 0.000 2.568 337 S HA 0.698 5.168 4.470 -0.000 0.000 0.293 337 S C -2.759 171.886 174.600 0.075 0.000 1.089 337 S CA -0.569 57.701 58.200 0.117 0.000 0.945 337 S CB 1.510 64.801 63.200 0.150 0.000 1.077 337 S HN 0.808 nan 8.310 nan 0.000 0.485 338 P HA 0.362 nan 4.420 nan 0.000 0.269 338 P C -0.913 176.243 177.300 -0.241 0.000 1.215 338 P CA 0.132 63.146 63.100 -0.143 0.000 0.780 338 P CB 0.188 31.809 31.700 -0.131 0.000 0.898 339 H N -1.289 117.599 119.070 -0.303 0.000 3.064 339 H HA 0.614 5.170 4.556 -0.000 0.000 0.352 339 H C -2.977 172.188 175.328 -0.272 0.000 1.260 339 H CA -2.395 53.279 56.048 -0.623 0.000 1.160 339 H CB -0.602 28.975 29.762 -0.308 0.000 1.879 339 H HN 0.134 nan 8.280 nan 0.000 0.544 340 P HA 0.043 nan 4.420 nan 0.000 0.269 340 P C -1.170 176.389 177.300 0.432 0.000 1.217 340 P CA -0.146 63.051 63.100 0.162 0.000 0.783 340 P CB 0.289 32.070 31.700 0.136 0.000 0.898 341 Y N 0.910 121.229 120.300 0.031 0.000 2.320 341 Y HA 0.447 4.997 4.550 -0.000 0.000 0.334 341 Y C -1.004 174.817 175.900 -0.132 0.000 1.055 341 Y CA -0.523 57.574 58.100 -0.005 0.000 1.143 341 Y CB 0.628 39.032 38.460 -0.093 0.000 1.193 341 Y HN 0.399 nan 8.280 nan 0.000 0.477 342 W N 7.241 128.092 121.300 -0.748 0.000 2.739 342 W HA 0.549 5.208 4.660 -0.000 0.000 0.331 342 W C -1.153 174.714 176.519 -1.087 0.000 1.049 342 W CA -0.812 56.126 57.345 -0.679 0.000 1.234 342 W CB 1.448 30.660 29.460 -0.415 0.000 1.404 342 W HN 0.373 nan 8.180 nan 0.000 0.477 343 L N 4.860 125.770 121.223 -0.521 0.000 2.473 343 L HA 0.170 4.510 4.340 -0.000 0.000 0.268 343 L C -1.733 174.940 176.870 -0.328 0.000 1.215 343 L CA -1.517 52.986 54.840 -0.561 0.000 0.823 343 L CB 0.133 41.899 42.059 -0.488 0.000 1.099 343 L HN 0.042 nan 8.230 nan 0.000 0.483 344 P HA -0.094 nan 4.420 nan 0.000 0.263 344 P C -0.002 177.284 177.300 -0.023 0.000 1.175 344 P CA 0.473 63.507 63.100 -0.110 0.000 0.761 344 P CB 0.216 31.884 31.700 -0.053 0.000 0.794 345 N N 2.533 121.255 118.700 0.038 0.000 2.693 345 N HA -0.236 4.504 4.740 -0.000 0.000 0.249 345 N C -0.249 175.232 175.510 -0.048 0.000 1.119 345 N CA 0.757 53.761 53.050 -0.076 0.000 0.717 345 N CB -1.273 37.222 38.487 0.014 0.000 1.071 345 N HN 0.444 nan 8.380 nan 0.000 0.555 346 F N -3.363 116.548 119.950 -0.066 0.000 3.034 346 F HA -0.306 4.221 4.527 -0.000 0.000 0.286 346 F C 1.265 177.080 175.800 0.024 0.000 0.804 346 F CA 1.108 59.038 58.000 -0.116 0.000 1.161 346 F CB -2.028 36.720 39.000 -0.420 0.000 1.317 346 F HN 0.309 nan 8.300 nan 0.000 0.453 347 M N 2.728 122.398 119.600 0.117 0.000 2.249 347 M HA 0.100 4.580 4.480 -0.000 0.000 0.340 347 M C 0.672 177.049 176.300 0.130 0.000 1.166 347 M CA 0.283 55.656 55.300 0.121 0.000 1.115 347 M CB 0.431 33.090 32.600 0.097 0.000 1.606 347 M HN 0.284 nan 8.290 nan 0.000 0.448 348 D N 4.013 124.516 120.400 0.172 0.000 2.312 348 D HA 0.094 4.734 4.640 -0.000 0.000 0.248 348 D C 1.194 177.607 176.300 0.189 0.000 1.086 348 D CA -0.432 53.666 54.000 0.165 0.000 0.948 348 D CB 1.189 42.116 40.800 0.211 0.000 1.162 348 D HN 0.621 nan 8.370 nan 0.000 0.446 349 V N -0.856 119.117 119.914 0.097 0.000 2.453 349 V HA -0.270 3.850 4.120 -0.000 0.000 0.252 349 V C 1.870 178.084 176.094 0.200 0.000 1.068 349 V CA 1.189 63.612 62.300 0.204 0.000 1.070 349 V CB -1.189 30.655 31.823 0.034 0.000 0.664 349 V HN 0.468 nan 8.190 nan 0.000 0.461 350 F N 1.885 121.972 119.950 0.229 0.000 2.060 350 F HA -0.038 4.489 4.527 -0.000 0.000 0.295 350 F C 2.849 178.751 175.800 0.169 0.000 1.120 350 F CA 2.123 60.222 58.000 0.165 0.000 1.205 350 F CB -1.607 37.464 39.000 0.117 0.000 0.986 350 F HN 0.078 nan 8.300 nan 0.000 0.470 351 T N -0.824 113.957 114.554 0.378 0.000 2.822 351 T HA -0.268 4.082 4.350 -0.000 0.000 0.270 351 T C 1.556 176.431 174.700 0.291 0.000 1.064 351 T CA 1.497 63.760 62.100 0.272 0.000 1.131 351 T CB -0.612 68.392 68.868 0.228 0.000 0.858 351 T HN 0.478 nan 8.240 nan 0.000 0.483 352 W N 2.373 123.742 121.300 0.115 0.000 2.407 352 W HA -0.083 4.577 4.660 -0.000 0.000 0.305 352 W C 2.630 179.210 176.519 0.101 0.000 1.196 352 W CA 1.204 58.601 57.345 0.086 0.000 1.311 352 W CB -0.601 28.895 29.460 0.060 0.000 1.135 352 W HN 0.279 nan 8.180 nan 0.000 0.514 353 S N -0.179 115.521 115.700 -0.000 0.000 2.458 353 S HA -0.080 4.390 4.470 -0.000 0.000 0.223 353 S C 2.057 176.670 174.600 0.020 0.000 1.019 353 S CA 0.860 58.964 58.200 -0.161 0.000 0.937 353 S CB -0.858 62.288 63.200 -0.090 0.000 0.788 353 S HN 0.314 nan 8.310 nan 0.000 0.511 354 L N 1.813 123.096 121.223 0.101 0.000 1.997 354 L HA -0.092 4.248 4.340 -0.000 0.000 0.216 354 L C -0.575 176.334 176.870 0.064 0.000 1.074 354 L CA 1.928 56.825 54.840 0.095 0.000 0.763 354 L CB -1.693 40.435 42.059 0.115 0.000 0.890 354 L HN 0.270 nan 8.230 nan 0.000 0.434 355 P HA -0.229 nan 4.420 nan 0.000 0.216 355 P C 1.450 178.801 177.300 0.084 0.000 1.150 355 P CA 1.453 64.594 63.100 0.068 0.000 0.843 355 P CB -0.060 31.686 31.700 0.077 0.000 0.787 356 F N -0.220 119.683 119.950 -0.078 0.000 2.206 356 F HA -0.108 4.418 4.527 -0.000 0.000 0.298 356 F C 2.004 177.763 175.800 -0.069 0.000 1.090 356 F CA 0.979 58.923 58.000 -0.093 0.000 1.323 356 F CB -0.830 38.070 39.000 -0.165 0.000 1.028 356 F HN -0.312 nan 8.300 nan 0.000 0.492 357 V N 0.172 120.029 119.914 -0.096 0.000 2.343 357 V HA -0.224 3.896 4.120 -0.000 0.000 0.247 357 V C 2.712 178.717 176.094 -0.149 0.000 1.051 357 V CA 1.930 64.142 62.300 -0.148 0.000 1.036 357 V CB -1.560 30.247 31.823 -0.026 0.000 0.654 357 V HN 0.502 nan 8.190 nan 0.000 0.451 358 G N -0.694 108.055 108.800 -0.085 0.000 2.433 358 G HA2 -0.307 3.652 3.960 -0.000 0.000 0.216 358 G HA3 -0.307 3.652 3.960 -0.000 0.000 0.216 358 G C 1.498 176.335 174.900 -0.104 0.000 1.186 358 G CA 0.978 46.037 45.100 -0.068 0.000 0.779 358 G HN 0.556 nan 8.290 nan 0.000 0.543 359 E N 0.189 120.316 120.200 -0.122 0.000 2.048 359 E HA -0.240 4.110 4.350 -0.000 0.000 0.202 359 E C 2.425 178.909 176.600 -0.193 0.000 1.021 359 E CA 1.386 57.707 56.400 -0.132 0.000 0.825 359 E CB -0.064 29.574 29.700 -0.103 0.000 0.756 359 E HN 0.172 nan 8.360 nan 0.000 0.454 360 K N 0.226 120.415 120.400 -0.352 0.000 2.025 360 K HA -0.085 4.235 4.320 -0.000 0.000 0.207 360 K C 2.311 178.792 176.600 -0.198 0.000 1.049 360 K CA 0.959 57.044 56.287 -0.335 0.000 0.933 360 K CB -0.610 31.550 32.500 -0.568 0.000 0.714 360 K HN 0.138 nan 8.250 nan 0.000 0.438 361 V N 1.610 121.419 119.914 -0.176 0.000 2.332 361 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 361 V C 2.270 178.316 176.094 -0.080 0.000 1.055 361 V CA 2.245 64.480 62.300 -0.108 0.000 1.038 361 V CB -0.803 30.969 31.823 -0.085 0.000 0.651 361 V HN 0.383 nan 8.190 nan 0.000 0.450 362 T N -0.761 113.746 114.554 -0.079 0.000 2.777 362 T HA -0.186 4.163 4.350 -0.000 0.000 0.266 362 T C 1.814 176.482 174.700 -0.054 0.000 1.040 362 T CA 1.537 63.604 62.100 -0.056 0.000 1.141 362 T CB -0.234 68.606 68.868 -0.048 0.000 0.868 362 T HN 0.572 nan 8.240 nan 0.000 0.444 363 E N 0.718 120.876 120.200 -0.069 0.000 2.085 363 E HA -0.138 4.212 4.350 -0.000 0.000 0.194 363 E C 2.143 178.713 176.600 -0.050 0.000 0.994 363 E CA 1.040 57.405 56.400 -0.058 0.000 0.801 363 E CB -0.249 29.410 29.700 -0.070 0.000 0.743 363 E HN 0.457 nan 8.360 nan 0.000 0.453 364 M N 0.662 120.227 119.600 -0.059 0.000 2.080 364 M HA -0.216 4.264 4.480 -0.000 0.000 0.260 364 M C 1.994 178.274 176.300 -0.034 0.000 1.068 364 M CA 1.582 56.855 55.300 -0.045 0.000 1.109 364 M CB 0.002 32.572 32.600 -0.049 0.000 1.342 364 M HN 0.090 nan 8.290 nan 0.000 0.405 365 L N -0.634 120.569 121.223 -0.034 0.000 2.056 365 L HA -0.172 4.168 4.340 -0.000 0.000 0.207 365 L C 2.412 179.269 176.870 -0.022 0.000 1.078 365 L CA 0.861 55.685 54.840 -0.026 0.000 0.749 365 L CB -0.872 41.172 42.059 -0.025 0.000 0.901 365 L HN 0.203 nan 8.230 nan 0.000 0.433 366 V N 0.394 120.294 119.914 -0.023 0.000 2.282 366 V HA -0.313 3.807 4.120 -0.000 0.000 0.249 366 V C 2.299 178.384 176.094 -0.016 0.000 1.057 366 V CA 2.036 64.325 62.300 -0.019 0.000 1.032 366 V CB -0.733 31.079 31.823 -0.019 0.000 0.645 366 V HN 0.501 nan 8.190 nan 0.000 0.447 367 N N 0.125 118.814 118.700 -0.018 0.000 2.120 367 N HA -0.131 4.609 4.740 -0.000 0.000 0.188 367 N C 1.775 177.277 175.510 -0.013 0.000 1.024 367 N CA 1.452 54.493 53.050 -0.015 0.000 0.852 367 N CB -0.607 37.870 38.487 -0.017 0.000 1.003 367 N HN 0.369 nan 8.380 nan 0.000 0.424 368 V N 1.759 121.664 119.914 -0.015 0.000 2.407 368 V HA -0.135 3.984 4.120 -0.000 0.000 0.248 368 V C 2.284 178.372 176.094 -0.011 0.000 1.055 368 V CA 1.134 63.426 62.300 -0.013 0.000 1.049 368 V CB -0.385 31.430 31.823 -0.014 0.000 0.662 368 V HN 0.253 nan 8.190 nan 0.000 0.455 369 L N -0.453 120.763 121.223 -0.011 0.000 2.179 369 L HA -0.025 4.315 4.340 -0.000 0.000 0.208 369 L C 1.871 178.736 176.870 -0.008 0.000 1.096 369 L CA 1.078 55.913 54.840 -0.009 0.000 0.779 369 L CB -0.707 41.347 42.059 -0.010 0.000 0.922 369 L HN 0.382 nan 8.230 nan 0.000 0.443 370 N N 1.551 120.246 118.700 -0.008 0.000 2.627 370 N HA -0.051 4.689 4.740 -0.000 0.000 0.196 370 N C 1.251 176.757 175.510 -0.006 0.000 1.268 370 N CA 0.457 53.503 53.050 -0.007 0.000 0.904 370 N CB 0.016 38.498 38.487 -0.007 0.000 1.016 370 N HN 0.518 nan 8.380 nan 0.000 0.448 371 I N -2.698 117.868 120.570 -0.006 0.000 3.688 371 I HA 0.220 4.390 4.170 -0.000 0.000 0.307 371 I C -0.138 175.977 176.117 -0.004 0.000 1.287 371 I CA -0.173 61.124 61.300 -0.005 0.000 1.192 371 I CB -0.509 37.488 38.000 -0.005 0.000 1.043 371 I HN -0.114 nan 8.210 nan 0.000 0.442 372 C N 0.000 119.298 119.300 -0.004 0.000 2.653 372 C HA 0.000 4.460 4.460 -0.000 0.000 0.325 372 C CA 0.000 59.016 59.018 -0.004 0.000 1.963 372 C CB 0.000 27.738 27.740 -0.004 0.000 2.134 372 C HN 0.000 nan 8.230 nan 0.000 0.568